n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide profile

ID Source	ID
PubMed CID	135533054
CHEMBL ID	1209885
CHEBI ID	132754
MeSH ID	M0499925

Synonym
dynasore ,
UPCMLD0ENAT5920180:001
CHEMBL1209885 ,
304448-55-3
dynamin inhibitor i
n'-[(e)-(3,4-dihydroxyphenyl)methylene]-3-hydroxy-2-naphthohydrazide
3-hydroxynaphthalene-2-carboxylic acid (3,4-dihydroxybenzylidene)hydrazide
CHEBI:132754
AKOS000486035
bdbm50323460
n''-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthohydrazide
HY-15304
CS-1340
dynamin inhibitor i, dynasore
S8047
Z49628777
2-naphthalenecarboxylic acid, 3-hydroxy-, 2-[(3,4-dihydroxyphenyl)methylene]hydrazide
DTXSID60420841
HB1245
AC-32834
AKOS026750233
n'-[(3,4-dihydroxyphenyl)methylidene]-3-hydroxynaphthalene-2-carbohydrazide
mfcd00292551
AS-74080
J-017955
NCGC00386289-03
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthohydrazide
CCG-267726
n-[(e)-(3,4-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
dynamin inhibitor i, dynasore is known as a dynamin i and dynamin ii inhibitor.
EN300-97658

Role	Description
EC 3.6.5.5 (dynamin GTPase) inhibitor	An EC 3.6.5.* (hydrolases acting on GTP; involved in cellular and subcellular movement) inhibitor that interferes with the action of dynamin GTPase (EC 3.6.5.5).

Class	Description
catechols	Any compound containing an o-diphenol component.
naphthols	Any hydroxynaphthalene derivative that has a single hydroxy substituent.
hydrazide	Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing -OH by -NRNR2 (R groups are commonly H). (IUPAC).
hydrazone	Compounds having the structure R2C=NNR2, formally derived from aldehydes or ketones by replacing =O by =NNH2 (or substituted analogues).

Protein	Taxonomy	Measurement	Average (mM)	Bioassay(s)
Dynamin-1	Homo sapiens (human)	IC50	10.8000	AID494094

Assay ID	Title	Year	Journal	Article
AID494096	Inhibition of GTPase activity of human mitochondrial Drp1 expressed in Escherichia coli BL-21	2010	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 20, Issue:16 ISSN: 1464-3405	Synthesis of potent chemical inhibitors of dynamin GTPase.
AID494092	Inhibition of GTPase activity of Cdc42	2010	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 20, Issue:16 ISSN: 1464-3405	Synthesis of potent chemical inhibitors of dynamin GTPase.
AID494095	Inhibition of transferrin uptake in african green monkey COS7 cells by microscopic TexasRed imaging	2010	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 20, Issue:16 ISSN: 1464-3405	Synthesis of potent chemical inhibitors of dynamin GTPase.
AID494094	Inhibition of GTPase activity of Dynamin 1	2010	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 20, Issue:16 ISSN: 1464-3405	Synthesis of potent chemical inhibitors of dynamin GTPase.
AID494097	Inhibition of dynamin 1 mediated membrane fission in african green monkey Cos7 cells transfected with mRFP-LCa at 10 uM by total internal reflection fluorescence microscopy	2010	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 20, Issue:16 ISSN: 1464-3405	Synthesis of potent chemical inhibitors of dynamin GTPase.
AID1745854	NCATS anti-infectives library activity on HEK293 viability as a counter-qHTS vs the C. elegans viability qHTS	2023	Disease models & mechanisms, 03-01, Volume: 16, Issue:3 ISSN: 1754-8411	In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
AID1347172	Secondary qRT-PCR qHTS assay for selected Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347170	Vero cells viability counterscreen for qRT-PCR qHTS assay of selected Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1645848	NCATS Kinetic Aqueous Solubility Profiling	2019	Bioorganic & medicinal chemistry, 07-15, Volume: 27, Issue:14 ISSN: 1464-3391	Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
AID1745855	NCATS anti-infectives library activity on the primary C. elegans qHTS viability assay	2023	Disease models & mechanisms, 03-01, Volume: 16, Issue:3 ISSN: 1754-8411	In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
AID1347157	Confirmatory screen GU Rhodamine qHTS for Zika virus inhibitors qHTS	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347160	Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1 ISSN: 2472-5560	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347168	HepG2 cells viability qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347163	384 well plate NINDS AMC confirmatory qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347159	Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5 ISSN: 1521-0111	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347152	Confirmatory screen NINDS AMC qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347161	Confirmatory screen NINDS Rhodamine qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347167	Vero cells viability qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347153	Confirmatory screen GU AMC qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347169	Tertiary RLuc qRT-PCR qHTS assay for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347164	384 well plate NINDS Rhodamine confirmatory qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1508591	NCATS Rat Liver Microsome Stability Profiling	2020	Scientific reports, 11-26, Volume: 10, Issue:1 ISSN: 2045-2322	Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
AID1508612	NCATS Parallel Artificial Membrane Permeability Assay (PAMPA) Profiling	2017	Bioorganic & medicinal chemistry, 02-01, Volume: 25, Issue:3 ISSN: 1464-3391	Highly predictive and interpretable models for PAMPA permeability.
AID1347149	Furin counterscreen qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5 ISSN: 1521-0111	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	0 (0.00)	29.6817
2010's	4 (50.00)	24.3611
2020's	4 (50.00)	2.80

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	8 (100.00%)	84.16%

Substance	Classes	Roles	Relationship Strength
protocatechuic acid	catechols; dihydroxybenzoic acid	antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite	low
2,3-dihydroxybiphenyl	catechols; hydroxybiphenyls		low
catechol	catechols	allelochemical; genotoxin; plant metabolite	low
3,4-dihydroxyphenylacetic acid	catechols; dihydroxyphenylacetic acid	human metabolite	low
sk&f 77434	benzazepine; catechols; tertiary amino compound	dopamine agonist	low
sk&f-38393	benzazepine; catechols; secondary amino compound		low
6-fluoronorepinephrine	catechols		low
tyrphostin a23	catechols		low
benserazide	carbohydrazide; catechols; primary alcohol; primary amino compound	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor	low
caffeic acid	catechols; hydroxycinnamic acid	antioxidant; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite	low
isoproterenol	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent	low
masoprocol	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite	low
isoproterenol hydrochloride	catechols		low
4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol	catechols		low
3-methoxycatechol	aromatic ether; catechols	G-protein-coupled receptor agonist	low
3,4-dihydroxyacetophenone	acetophenones; catechols; dihydroxyacetophenone	metabolite	low
ethylnorepinephrine	catechols		low
3-o-methylgallic acid	benzoic acids; catechols		low
colterol	catechols; ethanolamines; secondary alcohol; secondary amino compound; triol	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent	low
4-bromocatechol	catechols		low
enterobactin	catechols; crown compound; macrotriolide; polyphenol	bacterial metabolite; siderophore	low
carbidopa	catechols; hydrazines; monocarboxylic acid	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor	low
carbidopa	catechols; hydrate; hydrazines; monocarboxylic acid	antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor	low
salvin	abietane diterpenoid; carbotricyclic compound; catechols; monocarboxylic acid	angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; food preservative; HIV protease inhibitor; plant metabolite	low
3-pentadecacatechol	catechols	allergen	low
4-ethylcatechol	catechols		low
brazilin	catechols; organic heterotetracyclic compound; tertiary alcohol	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; apoptosis inducer; biological pigment; hepatoprotective agent; histological dye; NF-kappaB inhibitor; plant metabolite	low
ethyl protocatechuate	catechols; ethyl ester	antibacterial agent; antioxidant; apoptosis inducer; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; plant metabolite	low
lanosol	catechols		low
3,4-dihydroxyphenylethanol	catechols; primary alcohol	antineoplastic agent; antioxidant; metabolite	low
3,4-dihydroxymandelic acid	2-hydroxy monocarboxylic acid; catechols	antioxidant; drug metabolite; human metabolite; mouse metabolite	low
3,4-dihydroxyphenylglycol	catechols; tetrol	metabolite; mouse metabolite	low
3,4-dihydroxybenzylamine	catechols		low
droxidopa	catechols; L-tyrosine derivative	antihypertensive agent; prodrug; vasoconstrictor agent	low
n-acetyldopamine	acetamides; catechols; N-(fatty acyl)-dopamine; secondary carboxamide	human urinary metabolite; marine metabolite	low
3,4-dihydroxyphenylacetaldehyde	alpha-CH2-containing aldehyde; catechols; phenylacetaldehydes	Escherichia coli metabolite; human metabolite; mouse metabolite	low
3-heptadecylcatechol	catechols		low
beta-lipotropin, gln(9)-	catechols; crown compound; macrocyclic lactone	bacterial metabolite; metabolite	low
protosappanin a	catechols	metabolite	low
chrysobactin	catechols; dipeptide; monocarboxylic acid; primary alcohol; primary amino compound	bacterial metabolite; siderophore	low
sk&f 83959	benzazepine; catechols; organochlorine compound; tertiary amino compound	dopamine agonist	low
3,4-dihydroxyphenylglycolaldehyde	catechols; hydroxyaldehyde	human metabolite; mouse metabolite; neurotoxin	low
a 3253	catechols		low
2-s-cysteinyldopa	amino dicarboxylic acid; aryl sulfide; catechols; diamine; L-tyrosine derivative; S-conjugate; S-organyl-L-cysteine	human urinary metabolite	low
4-fluorocatechol	catechols		low
n(beta)-alanyldopamine	catechols; primary amino compound; secondary carboxamide		low
3-hydroxyterphenyllin	catechols; dimethoxybenzene; para-terphenyl	Aspergillus metabolite	low
methyl 3,4-dihydroxybenzoate	catechols; methyl ester	antioxidant; neuroprotective agent; plant metabolite	low
norbelladine	catechols; phenethylamine alkaloid; polyphenol; secondary amino compound	plant metabolite	low
rimiterol	catechols		low
3,4-dihydroxyphenyllactic acid	2-hydroxy monocarboxylic acid; catechols		low
2-hydroxyestrone	2-hydroxy steroid; catechols	human metabolite	low
3,3',4,5'-tetrahydroxystilbene	catechols; polyphenol; resorcinols; stilbenol	antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor	low
capsazepine	benzazepine; catechols; monochlorobenzenes; thioureas	capsaicin receptor antagonist	low
4-nitrocatechol	C-nitro compound; catechols	human xenobiotic metabolite; lipoxygenase inhibitor	low
tolcapone	2-nitrophenols; benzophenones; catechols	antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor	low
entacapone	2-nitrophenols; catechols; monocarboxylic acid amide; nitrile	antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor	low
oleuropein	beta-D-glucoside; catechols; diester; methyl ester; pyrans; secoiridoid glycoside	anti-inflammatory agent; antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; NF-kappaB inhibitor; nutraceutical; plant metabolite; radical scavenger	low
5-o-caffeoylshikimic acid	alpha,beta-unsaturated monocarboxylic acid; carboxylic ester; catechols; cyclohexenecarboxylic acid	plant metabolite	low
acteoside	catechols; cinnamate ester; disaccharide derivative; glycoside; polyphenol	anti-inflammatory agent; antibacterial agent; antileishmanial agent; neuroprotective agent; plant metabolite	low
ellagic acid	catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent	low
arachidonyl dopamine	catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide		low
n-oleoyldopamine	catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide	TRPV1 agonist	low
sappanchalcone	catechols; chalcones; monomethoxybenzene	anti-allergic agent; anti-inflammatory agent; antioxidant; metabolite	low
ag-490	catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide	anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor	low
tetrahydroxycurcumin	beta-diketone; catechols; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; neuroprotective agent; plant metabolite	low
2',3,4-trihydroxychalcone	catechols; chalcones		low
3',4'-dihydroxyaurone	catechols; hydroxyaurone	EC 3.5.1.98 (histone deacetylase) inhibitor	low
thunberginol f	catechols; gamma-lactone; isobenzofuranone	metabolite; plant metabolite	low
salvianolic acid B	1-benzofurans; catechols; dicarboxylic acid; enoate ester; polyphenol	anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; apoptosis inducer; autophagy inhibitor; cardioprotective agent; hepatoprotective agent; hypoglycemic agent; neuroprotective agent; osteogenesis regulator; plant metabolite	low
a 77636	adamantanes; catechols; isochromenes; primary amino compound	antiparkinson drug; dopamine agonist	low
altenusin	aromatic ether; carboxybiphenyl; catechols; hydroxybiphenyls; polyphenol	antifungal agent; fungal metabolite	low
4-hydroxyestrone	17-oxo steroid; 3-hydroxy steroid; 4-hydroxy steroid; catechols; phenolic steroid	carcinogenic agent; estrogen; human urinary metabolite	low
n-caffeoyltyramine	catechols		low
11-hydroxysugiol	abietane diterpenoid; carbotricyclic compound; catechols; cyclic terpene ketone; meroterpenoid	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite	low
myxochelin b	benzamides; catechols	bacterial metabolite; siderophore	low
aspalathin	C-glycosyl compound; catechols; dihydrochalcones; polyketide; polyphenol	antioxidant; EC 1.17.3.2 (xanthine oxidase) inhibitor; hypoglycemic agent; plant metabolite	low
dihydro-n-caffeoyltyramine	catechols		low
violaceol II	aromatic ether; catechols; resorcinols	mycotoxin	low
1-(3,4-dihydroxyphenyl)-2-thiocyanate-ethanone	aromatic ketone; catechols; thiocyanates		low
vanchrobactin	catechols; dipeptide; guanidines; monocarboxylic acid; primary alcohol; triol	bacterial metabolite; marine metabolite; siderophore	low
hispidin	2-pyranones; catechols	antioxidant; EC 2.7.11.13 (protein kinase C) inhibitor; fungal metabolite	low
oleuropein aglycone	catechols; diester; lactol; methyl ester; pyrans; secoiridoid	anti-inflammatory agent; antioxidant; mTOR inhibitor; neuroprotective agent; plant metabolite; TRPA1 channel agonist	low
vitamin k5	naphthols		low
1-hydroxy-2-naphthoic acid	hydroxy monocarboxylic acid; naphthoic acid; naphthols	bacterial xenobiotic metabolite; fungal xenobiotic metabolite	low
7-amino-4-hydroxy-2-naphthalenesulfonic acid	aminonaphthalenesulfonic acid; naphthols	metabolite	low
1-nitroso-2-naphthol	naphthols		low
naphthol yellow	C-nitro compound; naphthalenesulfonic acid; naphthols	histological dye	low
(s)-binol	naphthols		low
2-hydroxy-1-naphthaldehyde	naphthaldehydes; naphthols		low
6-bromo-2-naphthol	naphthols; organobromine compound		low
scarlet red	azobenzenes; bis(azo) compound; naphthols	carcinogenic agent; fluorochrome; histological dye	low
sudan iii	azobenzenes; bis(azo) compound; naphthols	carcinogenic agent; fluorochrome; histological dye	low
aminaftone	naphthols		low
4-hydroxypropranolol	naphthols		low
2,6-dihydroxynaphthalene	naphthols		low
allenolic acid	naphthols		low
nepodin	naphthols		low
ponceau mx	azobenzenes; naphthalenesulfonic acid; naphthols	carcinogenic agent; cardiotoxic agent	low
dihydrobunolol	naphthols		low
lasofoxifene	aromatic ether; N-alkylpyrrolidine; naphthols; tetralins	antineoplastic agent; bone density conservation agent; cardioprotective agent; estrogen receptor agonist; estrogen receptor antagonist	low
dioncophylline c	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthols	antimalarial; antiplasmodial drug; metabolite	low
IPA-3	naphthols; organic disulfide	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
2-[2-hydroxy-6,7-dimethoxy-4-(4-morpholinyl)-1-naphthalenyl]-N-phenylacetamide	naphthols		low
1-[[(1-methyl-2-benzimidazolyl)amino]methyl]-2-naphthalenol	naphthols		low
N-[[(5-hydroxy-1-naphthalenyl)amino]-sulfanylidenemethyl]-2-furancarboxamide	naphthols		low
sirtinol	aldimine; benzamides; naphthols	anti-inflammatory agent; EC 3.5.1.98 (histone deacetylase) inhibitor; Sir2 inhibitor	low
N-[(2-hydroxy-1-naphthalenyl)-(4-methoxyphenyl)methyl]-2-methylpropanamide	naphthols		low
N-[(2-chlorophenyl)-(2-hydroxy-1-naphthalenyl)methyl]butanamide	naphthols		low
N-[(2-hydroxy-1-naphthalenyl)-(4-methylphenyl)methyl]cyclohexanecarboxamide	naphthols		low
carbonyl cyanide m-chlorophenyl hydrazone	hydrazone; monochlorobenzenes; nitrile	antibacterial agent; geroprotector; ionophore	low
dantrolene	hydrazone; imidazolidine-2,4-dione	muscle relaxant; neuroprotective agent; ryanodine receptor antagonist	low
etazolate	ethyl ester; hydrazone; pyrazolopyridine	alpha-secretase activator; antidepressant; antipsychotic agent; anxiolytic drug; GABA agent; neuroprotective agent; phosphodiesterase IV inhibitor	low
carbonyl cyanide p-trifluoromethoxyphenylhydrazone	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore	low
bisantrene	anthracenes; hydrazone; imidazolidines	antineoplastic agent	low
3,5,5-trimethyl-4H-pyrazole-1-carbothioamide	hydrazone		low
or 1259	hydrazone; nitrile; pyridazinone	anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent	low
mitoguazone	guanidines; hydrazone	antineoplastic agent; apoptosis inducer; EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor	low
rhosin	D-tryptophan derivative; hydrazone; quinoxaline derivative	antineoplastic agent; RhoA inhibitor; RhoC inhibitor	low
nifurtoinol	hydrazone; imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent	low
triacsin c	hydrazone; nitroso compound; olefinic compound	antimalarial; apoptosis inhibitor; bacterial metabolite; EC 3.1.1.64 (retinoid isomerohydrolase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; vasodilator agent	low
cyclopentylidene-[4-(4-chlorophenyl)thiazol-2-yl]hydrazone	1,3-thiazoles; hydrazone; monochlorobenzenes	EC 2.3.1.48 (histone acetyltransferase) inhibitor	low
rifampin	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor	low

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	Trials	pre-1990	1990's	2000's	2010's	post-2020
dyngo-4a	0	aromatic alcohol	EC 3.6.5.5 (dynamin GTPase) inhibitor	0	0		low	0	0	0	0	0	0

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	2010's	post-2020
aminolevulinic acid	1	4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid	antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite	2023	2023	1.0	low	0	1
coumarin	1	coumarins	fluorescent dye; human metabolite; plant metabolite	2023	2023	1.0	low	0	1
salicylic acid	1	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite	2023	2023	1.0	low	0	1
thioctic acid	1	dithiolanes; heterocyclic fatty acid; thia fatty acid	fundamental metabolite; geroprotector	2023	2023	1.0	low	0	1
picolinic acid	1	pyridinemonocarboxylic acid	human metabolite; MALDI matrix material	2023	2023	1.0	low	0	1
thiamine	1	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite	2023	2023	1.0	low	0	1
b 844-39	1	diarylmethane		2017	2017	7.0	low	1	0
pk 11195	3	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent	2017	2020	5.3	low	3	0
3-aminobenzamide	1	benzamides; substituted aniline	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	2023	2023	1.0	low	0	1
pleconaril	1			2023	2023	1.0	low	0	1
4-(2-aminoethyl)benzenesulfonylfluoride	1			2023	2023	1.0	low	0	1
jtv519	3			2017	2020	5.3	high	3	0
phenytoin	1	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent	2023	2023	1.0	low	0	1
acetazolamide	1	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor	2023	2023	1.0	low	0	1
alprazolam	3	organochlorine compound; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic	2017	2020	5.3	low	3	0
alprenolol	1	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent	2023	2023	1.0	low	0	1
amantadine	1	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic	2023	2023	1.0	low	0	1
2-aminothiazole	1	1,3-thiazoles; primary amino compound		2023	2023	1.0	low	0	1
dan 2163	3	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic	2017	2020	5.3	low	3	0
amlexanox	3	monocarboxylic acid; pyridochromene	anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug	2017	2020	5.3	low	3	0
amodiaquine	1	aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug	2023	2023	1.0	low	0	1
aspirin	1	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent	2023	2023	1.0	low	0	1
astemizole	3	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist	2017	2020	5.3	low	3	0
baclofen	1	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant	2023	2023	1.0	low	0	1
benzamide	1	benzamides		2023	2023	1.0	low	0	1
benzbromarone	3	1-benzofurans; aromatic ketone	uricosuric drug	2017	2020	5.3	low	3	0
bisindolylmaleimide i	3			2017	2020	5.3	low	3	0
bufexamac	3	aromatic ether; hydroxamic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug	2017	2020	5.3	low	3	0
cadralazine	3	organic molecular entity		2017	2020	5.3	low	3	0
camostat	1	benzoate ester; carboxylic ester; diester; guanidines; tertiary carboxamide	anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor	2023	2023	1.0	low	0	1
camphor, (+-)-isomer	1	bornane monoterpenoid; cyclic monoterpene ketone	plant metabolite	2023	2023	1.0	low	0	1
candesartan	1	benzimidazolecarboxylic acid; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic	2023	2023	1.0	low	0	1
carvedilol	2	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent	2019	2020	4.5	low	2	0
cetirizine	2	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic	2019	2020	4.5	low	2	0
cetylpyridinium	1	pyridinium ion		2023	2023	1.0	low	0	1
chlorcyclizine	3	diarylmethane		2017	2020	5.3	low	3	0
chloroxylenol	1	monochlorobenzenes; phenols	antiseptic drug; disinfectant; molluscicide	2023	2023	1.0	low	0	1
chlorpromazine	1	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug	2023	2023	1.0	low	0	1
ci 994	3	acetamides; benzamides; substituted aniline	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor	2017	2020	5.3	low	3	0
ciprofibrate	1	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug	2023	2023	1.0	low	0	1
clomipramine	1	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor	2023	2023	1.0	low	0	1
cyclosporine	2			2017	2020	5.5	high	2	0
danthron	1	dihydroxyanthraquinone	apoptosis inducer; plant metabolite	2023	2023	1.0	low	0	1
deferiprone	1	4-pyridones	iron chelator; protective agent	2023	2023	1.0	low	0	1
dipyridamole	1	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent	2023	2023	1.0	low	0	1
disulfiram	1	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor	2023	2023	1.0	low	0	1
valproic acid	1	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent	2023	2023	1.0	low	0	1
doxazosin	1	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent	2023	2023	1.0	low	0	1
ebselen	1	benzoselenazole	anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger	2023	2023	1.0	low	0	1
etidronate	1	1,1-bis(phosphonic acid)	antineoplastic agent; bone density conservation agent; chelator	2023	2023	1.0	low	0	1
2-hexyloxybenzamide	1	aromatic ether; benzamides	antifungal agent	2023	2023	1.0	low	0	1
brl 42810	1	2-aminopurines; acetate ester	antiviral drug; prodrug	2023	2023	1.0	low	0	1
fenbendazole	3	aryl sulfide; benzimidazoles; carbamate ester	antinematodal drug	2017	2020	5.3	low	3	0
berotek	1	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent	2017	2017	7.0	low	1	0
fluphenazine	1	N-alkylpiperazine; organofluorine compound; phenothiazines	anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug	2023	2023	1.0	low	0	1
fluorouracil	1	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic	2023	2023	1.0	low	0	1
gabexate	1	benzoate ester		2023	2023	1.0	low	0	1
glutaral	1	dialdehyde	cross-linking reagent; disinfectant; fixative	2023	2023	1.0	low	0	1
go 6976	3	indolocarbazole; organic heterohexacyclic compound	EC 2.7.11.13 (protein kinase C) inhibitor	2017	2020	5.3	low	3	0
fasudil	1	isoquinolines; N-sulfonyldiazepane	antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent	2023	2023	1.0	low	0	1
haloperidol	4	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist	2017	2023	4.2	low	3	1
miltefosine	1	phosphocholines; phospholipid	anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor	2023	2023	1.0	low	0	1
hexylresorcinol	1	resorcinols		2023	2023	1.0	low	0	1
beta-thujaplicin	1	cyclic ketone; enol; monoterpenoid	antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite	2023	2023	1.0	low	0	1
homochlorocyclizine	3	diarylmethane		2017	2020	5.3	low	3	0
hycanthone	1	thioxanthenes	mutagen; schistosomicide drug	2023	2023	1.0	low	0	1
hydrochlorothiazide	1	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic	2023	2023	1.0	low	0	1
hydroxyurea	1	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent	2023	2023	1.0	low	0	1
hydroxyzine	3	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist	2017	2020	5.3	low	3	0
ibuprofen	1	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic	2023	2023	1.0	low	0	1
ifenprodil	3	piperidines		2017	2020	5.3	low	3	0
indomethacin	1	aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole	analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic	2023	2023	1.0	low	0	1
avapro	1	azaspiro compound; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic	2023	2023	1.0	low	0	1
itraconazole	1	piperazines		2023	2023	1.0	low	0	1
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone	3	naphthalenes		2017	2020	5.3	medium	3	0
ketamine	3	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic	2017	2020	5.3	low	3	0
ketoprofen	3	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic	2017	2020	5.3	low	3	0
kojic acid	1	4-pyranones; enol; primary alcohol	Aspergillus metabolite; EC 1.10.3.1 (catechol oxidase) inhibitor; EC 1.10.3.2 (laccase) inhibitor; EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; EC 1.4.3.3 (D-amino-acid oxidase) inhibitor; NF-kappaB inhibitor; skin lightening agent	2023	2023	1.0	low	0	1
lapachol	1			2023	2023	1.0	low	0	1
loperamide	1	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist	2023	2023	1.0	low	0	1
loratadine	1	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist	2023	2023	1.0	low	0	1
losartan	1	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist	2023	2023	1.0	low	0	1
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide	1	benzamides; hydroxamic acid; secondary carboxamide; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	2023	2023	1.0	low	0	1
mafenide	1	aromatic amine		2023	2023	1.0	low	0	1
mebendazole	3	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator	2017	2020	5.3	low	3	0
mephenesin	3	aromatic ether; glycerol ether		2017	2020	5.3	low	3	0
methazolamide	1	sulfonamide; thiadiazoles		2023	2023	1.0	low	0	1
methocarbamol	1	aromatic ether; carbamate ester; secondary alcohol		2023	2023	1.0	low	0	1
mitoxantrone	1	dihydroxyanthraquinone	analgesic; antineoplastic agent	2023	2023	1.0	low	0	1
entinostat	1	benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	2023	2023	1.0	low	0	1
ethylmaleimide	1	maleimides	anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor	2023	2023	1.0	low	0	1
nabumetone	1	methoxynaphthalene; methyl ketone	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug	2023	2023	1.0	low	0	1
nafamostat	1	benzoic acids; guanidines		2023	2023	1.0	low	0	1
nevirapine	1	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor	2023	2023	1.0	low	0	1
niclosamide	3	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor	2017	2020	5.3	low	3	0
omeprazole	1	aromatic ether; benzimidazoles; pyridines; sulfoxide		2023	2023	1.0	low	0	1
osalmide	1	organic molecular entity		2023	2023	1.0	low	0	1
oxethazaine	1	amino acid amide		2023	2023	1.0	low	0	1
oxibendazole	3	benzimidazoles; carbamate ester		2017	2020	5.3	low	3	0
4-(2'-methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine	3			2017	2020	5.3	low	3	0
palmidrol	1	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine	anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent	2023	2023	1.0	low	0	1
papaverine	1	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent	2023	2023	1.0	low	0	1
pentoxifylline	1	oxopurine		2023	2023	1.0	low	0	1
perhexiline	1	piperidines	cardiovascular drug	2023	2023	1.0	low	0	1
perphenazine	3	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug	2017	2020	5.3	low	3	0
phenazopyridine	1	diaminopyridine; monoazo compound	anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic	2023	2023	1.0	low	0	1
4-phenylbutyric acid	1	monocarboxylic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug	2023	2023	1.0	low	0	1
phenylmethylsulfonyl fluoride	1	acyl fluoride	serine proteinase inhibitor	2023	2023	1.0	low	0	1
pimobendan	4	benzimidazoles; pyridazinone	cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent	2017	2023	4.2	low	3	1
pj-34	1	phenanthridines; secondary carboxamide; tertiary amino compound	angiogenesis inhibitor; anti-inflammatory agent; antiatherosclerotic agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; neuroprotective agent	2023	2023	1.0	low	0	1
ag 1879	3	aromatic amine; monochlorobenzenes; pyrazolopyrimidine	beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector	2017	2020	5.3	low	3	0
praziquantel	1	isoquinolines		2023	2023	1.0	low	0	1
probenecid	1	benzoic acids; sulfonamide	uricosuric drug	2023	2023	1.0	low	0	1
probucol	1	dithioketal; polyphenol	anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug	2023	2023	1.0	low	0	1
promazine	1	phenothiazines; tertiary amine	antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist	2023	2023	1.0	low	0	1
promethazine	1	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative	2023	2023	1.0	low	0	1
propranolol	1	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic	2023	2023	1.0	low	0	1
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one	2	indoles		2017	2020	5.5	medium	2	0
rimantadine	1	alkylamine		2023	2023	1.0	low	0	1
ro 31-8220	3	imidothiocarbamic ester; indoles; maleimides	EC 2.7.11.13 (protein kinase C) inhibitor	2017	2020	5.3	low	3	0
rolipram	1	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor	2023	2023	1.0	low	0	1
ropinirole	3	indolones; tertiary amine	antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist	2017	2020	5.3	low	3	0
scriptaid	1	isoquinolines		2023	2023	1.0	low	0	1
sebacic acid	1	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human metabolite; plant metabolite	2023	2023	1.0	low	0	1
fenofibrate	1	benzochromenone; delta-lactone; naphtho-alpha-pyrone	platelet aggregation inhibitor; Sir2 inhibitor	2023	2023	1.0	low	0	1
imatinib	1	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor	2023	2023	1.0	low	0	1
vorinostat	3	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	2017	2020	5.3	low	3	0
suprofen	1	aromatic ketone; monocarboxylic acid; thiophenes	antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug	2023	2023	1.0	low	0	1
thalidomide	1	phthalimides; piperidones		2023	2023	1.0	low	0	1
ticlopidine	1	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor	2023	2023	1.0	low	0	1
2-[4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine	2	stilbenoid		2017	2020	5.5	high	2	0
triamterene	1	pteridines	diuretic; sodium channel blocker	2023	2023	1.0	low	0	1
trifluoperazine	1	N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines	antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug	2023	2023	1.0	low	0	1
trifluperidol	1	aromatic ketone		2017	2017	7.0	low	1	0
triflupromazine	1	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic	2023	2023	1.0	low	0	1
trigonelline	1	alkaloid; iminium betaine	food component; human urinary metabolite; plant metabolite	2023	2023	1.0	low	0	1
trimethobenzamide	1	benzamides; tertiary amino compound	antiemetic	2023	2023	1.0	low	0	1
trimethoprim	1	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic	2023	2023	1.0	low	0	1
tyrphostin a9	1	alkylbenzene	geroprotector	2023	2023	1.0	low	0	1
delavirdine	1	aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide	antiviral drug; HIV-1 reverse transcriptase inhibitor	2023	2023	1.0	low	0	1
vesnarinone	1	organic molecular entity		2023	2023	1.0	low	0	1
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole	3	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent	2017	2020	5.3	low	3	0
zotepine	3	dibenzothiepine; tertiary amino compound	alpha-adrenergic drug; second generation antipsychotic; serotonergic drug	2017	2020	5.3	low	3	0
idoxuridine	1	organoiodine compound; pyrimidine 2'-deoxyribonucleoside	antiviral drug; DNA synthesis inhibitor	2023	2023	1.0	low	0	1
chloramphenicol	1	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor	2023	2023	1.0	low	0	1
lysine	1	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite	2023	2023	1.0	low	0	1
phenylethyl alcohol	1	benzenes; primary alcohol	Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite	2023	2023	1.0	low	0	1
zoxazolamine	1	benzoxazole		2023	2023	1.0	low	0	1
colchicine	3	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen	2017	2020	5.3	low	3	0
cycloheximide	1	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor	2023	2023	1.0	low	0	1
ficusin	1	psoralens	plant metabolite	2023	2023	1.0	low	0	1
benziodarone	3	aromatic ketone		2017	2020	5.3	low	3	0
tubercidin	1	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside	antimetabolite; antineoplastic agent; bacterial metabolite	2023	2023	1.0	low	0	1
trifluridine	1	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor	2023	2023	1.0	low	0	1
cyclizine	1	N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic	2019	2019	5.0	low	1	0
9,10-anthraquinone	1	anthraquinone		2023	2023	1.0	low	0	1
salicylanilide	1	benzanilide fungicide; salicylamides; salicylanilides		2023	2023	1.0	low	0	1
gramine	1	aminoalkylindole; indole alkaloid; tertiary amino compound	antibacterial agent; antiviral agent; plant metabolite; serotonergic antagonist	2023	2023	1.0	low	0	1
aminacrine	1	aminoacridines; primary amino compound	acid-base indicator; antiinfective agent; antiseptic drug; fluorescent dye; MALDI matrix material; mutagen	2023	2023	1.0	low	0	1
trehalose	3	trehalose	Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite	2017	2020	5.3	low	3	0
methyl gallate	1	gallate ester	anti-inflammatory agent; antioxidant; plant metabolite	2023	2023	1.0	low	0	1
triclocarban	3	dichlorobenzene; monochlorobenzenes; phenylureas	antimicrobial agent; antiseptic drug; disinfectant; environmental contaminant; xenobiotic	2017	2020	5.3	low	3	0
monobenzone	1	benzyl ether	allergen; dermatologic drug; melanin synthesis inhibitor	2023	2023	1.0	low	0	1
4-tert-octylphenol	3	alkylbenzene		2017	2020	5.3	low	3	0
ditiocarb	1	dithiocarbamic acids	chelator; copper chelator	2023	2023	1.0	low	0	1
catechin	1	catechin	antioxidant; plant metabolite	2023	2023	1.0	low	0	1
ethamivan	3	methoxybenzenes; phenols		2017	2020	5.3	low	3	0
azacitidine	1	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent	2023	2023	1.0	low	0	1
methysergide	3	ergoline alkaloid		2017	2020	5.3	low	3	0
lucanthone	1	thioxanthenes	adjuvant; antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; mutagen; photosensitizing agent; prodrug; schistosomicide drug	2023	2023	1.0	low	0	1
cepharanthine	1	bisbenzylisoquinoline alkaloid; isoquinolines		2023	2023	1.0	low	0	1
aloe emodin	1	aromatic primary alcohol; dihydroxyanthraquinone	antineoplastic agent; plant metabolite	2023	2023	1.0	low	0	1
chrysophanic acid	1	dihydroxyanthraquinone	anti-inflammatory agent; antiviral agent; plant metabolite	2023	2023	1.0	low	0	1
emetine	4	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor	2017	2023	4.2	low	3	1
osthol	1	botanical anti-fungal agent; coumarins	metabolite	2023	2023	1.0	low	0	1
flavanone	1	flavanones		2023	2023	1.0	low	0	1
phloretic acid	1	hydroxy monocarboxylic acid	plant metabolite	2023	2023	1.0	low	0	1
oleanolic acid	1	hydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite	2023	2023	1.0	low	0	1
podophyllotoxin	3	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator	2017	2020	5.3	low	3	0
angelicin	1	furanocoumarin		2023	2023	1.0	low	0	1
diperodon	1	carbamate ester		2023	2023	1.0	low	0	1
megestrol acetate	1	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive	2023	2023	1.0	low	0	1
acetylcysteine	1	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary	2023	2023	1.0	low	0	1
hydroxychloroquine sulfate	1			2023	2023	1.0	low	0	1
etonitazene	3			2017	2020	5.3	low	3	0
ethambutol	1	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic	2023	2023	1.0	low	0	1
metformin hydrochloride	1	hydrochloride	environmental contaminant; hypoglycemic agent; xenobiotic	2023	2023	1.0	low	0	1
antimycin a	1	benzamides; formamides; macrodiolide; phenols	antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide	2023	2023	1.0	low	0	1
5,5'-dimethyl-2,2'-bipyridyl	1	bipyridines		2023	2023	1.0	medium	0	1
dichlorobenzyl alcohol	1	benzyl alcohols; dichlorobenzene	antiseptic drug	2023	2023	1.0	low	0	1
clothiapine	3	dibenzothiazepine		2017	2020	5.3	low	3	0
benperidol	3	aromatic ketone		2017	2020	5.3	low	3	0
7-hydroxychlorpromazine	3	phenothiazines		2017	2020	5.3	medium	3	0
stavudine	1	dihydrofuran; nucleoside analogue; organic molecular entity	antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor	2023	2023	1.0	low	0	1
dideoxyadenosine	1	adenosines; purine 2',3'-dideoxyribonucleoside	EC 3.5.4.4 (adenosine deaminase) inhibitor; EC 4.6.1.1 (adenylate cyclase) inhibitor	2023	2023	1.0	low	0	1
vidarabine	1	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic	2023	2023	1.0	low	0	1
3-deazaadenosine	1			2023	2023	1.0	low	0	1
zalcitabine	1	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor	2023	2023	1.0	low	0	1
camptothecin	3	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite	2017	2020	5.3	low	3	0
ancitabine	1	diol; organic heterotricyclic compound	antimetabolite; antineoplastic agent; prodrug	2023	2023	1.0	low	0	1
chloropyramine	1	aminopyridine		2023	2023	1.0	low	0	1
levamisole	1	6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole	antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator	2023	2023	1.0	low	0	1
thenalidine	3	dialkylarylamine; tertiary amino compound		2017	2020	5.3	medium	3	0
n'-nitrosonornicotine	1	pyridines; pyrrolidines		2023	2023	1.0	low	0	1
daunorubicin	1	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite	2023	2023	1.0	low	0	1
bromocriptine	3	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist	2017	2020	5.3	low	3	0
dexchlorpheniramine	3	chlorphenamine		2017	2020	5.3	low	3	0
dv 1006	3			2017	2020	5.3	medium	3	0
zidovudine	1	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor	2023	2023	1.0	low	0	1
ribavirin	1	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor	2023	2023	1.0	low	0	1
climbazole	3	aromatic ether; hemiaminal ether; imidazoles; ketone; monochlorobenzenes		2017	2020	5.3	low	3	0
pyridoxal phosphate	1	pyridinecarbaldehyde		2023	2023	1.0	medium	0	1
triadimenol	3	aromatic ether; conazole fungicide; hemiaminal ether; monochlorobenzenes; secondary alcohol; triazole fungicide	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; xenobiotic metabolite	2017	2020	5.3	medium	3	0
nitazoxanide	1	benzamides; carboxylic ester		2023	2023	1.0	low	0	1
captopril	1	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor	2023	2023	1.0	low	0	1
oltipraz	1	1,2-dithiole; pyrazines	angiogenesis modulating agent; antimutagen; antineoplastic agent; antioxidant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; neurotoxin; protective agent; schistosomicide drug	2023	2023	1.0	low	0	1
fiacitabine	1			2023	2023	1.0	low	0	1
amonafide	3	isoquinolines		2017	2020	5.3	low	3	0
flupirtine	3	aminopyridine		2017	2020	5.3	low	3	0
chaetochromin	3			2017	2020	5.3	medium	3	0
enoximone	3	aromatic ketone		2017	2020	5.3	low	3	0
ranolazine	1	aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol		2023	2023	1.0	low	0	1
brequinar	1	biphenyls; monocarboxylic acid; monofluorobenzenes; quinolinemonocarboxylic acid	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor	2023	2023	1.0	low	0	1
imiquimod	1	imidazoquinoline	antineoplastic agent; interferon inducer	2023	2023	1.0	low	0	1
adefovir	1	6-aminopurines; ether; phosphonic acids	antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent	2023	2023	1.0	low	0	1
cidofovir anhydrous	1	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent	2023	2023	1.0	low	0	1
celgosivir	1			2023	2023	1.0	low	0	1
gemcitabine	1	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic	2023	2023	1.0	low	0	1
aripiprazole	3	aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone	drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist	2017	2020	5.3	low	3	0
lamivudine	1	monothioacetal; nucleoside analogue; oxacycle; primary alcohol	allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug	2023	2023	1.0	low	0	1
valsartan	1	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic	2023	2023	1.0	low	0	1
zanamivir	1	guanidines	antiviral agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor	2023	2023	1.0	low	0	1
adefovir dipivoxil	1	6-aminopurines; carbonate ester; ether; organic phosphonate	antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug	2023	2023	1.0	low	0	1
emtricitabine	1	monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone	antiviral drug; HIV-1 reverse transcriptase inhibitor	2023	2023	1.0	low	0	1
octyl gallate	1	gallate ester	food antioxidant; hypoglycemic agent; plant metabolite	2023	2023	1.0	low	0	1
efavirenz	1	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor	2023	2023	1.0	low	0	1
nelfinavir	1	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor	2023	2023	1.0	low	0	1
betulinic acid	1	hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite	2023	2023	1.0	low	0	1
arctigenin	1	lignan		2023	2023	1.0	low	0	1
baicalin	1	dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative	antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug	2023	2023	1.0	low	0	1
plerixafor	1	azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound	anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant	2023	2023	1.0	low	0	1
amprenavir	1	carbamate ester; sulfonamide; tetrahydrofuryl ester	antiviral drug; HIV protease inhibitor	2023	2023	1.0	low	0	1
oseltamivir	1	acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic	2023	2023	1.0	low	0	1
epigallocatechin gallate	1	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite	2023	2023	1.0	low	0	1
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose	1	gallate ester; galloyl beta-D-glucose	anti-inflammatory agent; antineoplastic agent; geroprotector; hepatoprotective agent; plant metabolite; radiation protective agent; radical scavenger	2023	2023	1.0	low	0	1
cephalotaxine	1	benzazepine alkaloid fundamental parent; benzazepine alkaloid; cyclic acetal; enol ether; organic heteropentacyclic compound; secondary alcohol; tertiary amino compound		2023	2023	1.0	medium	0	1
desipramine hydrochloride	1	hydrochloride	drug allergen	2023	2023	1.0	low	0	1
mefloquine hydrochloride	1	hydrochloride		2023	2023	1.0	low	0	1
aloxistatin	2	epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide	anticoronaviral agent; cathepsin B inhibitor	2019	2023	3.0	low	1	1
propazole	1	benzimidazoles		2023	2023	1.0	low	0	1
indocate	3			2017	2020	5.3	medium	3	0
prulifloxacin	1	fluoroquinolone antibiotic; quinolone antibiotic		2023	2023	1.0	low	0	1
telmisartan	1	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic	2023	2023	1.0	low	0	1
bergenin	1	trihydroxybenzoic acid	metabolite	2023	2023	1.0	low	0	1
N(4)-acetylsulfathiazole	3	1,3-thiazoles; acetamides; sulfonamide	marine xenobiotic metabolite	2017	2020	5.3	high	3	0
cyclizine hydrochloride	2			2017	2020	5.5	medium	2	0
2,3-trimethylene-4-quinazolone	3	quinazolines		2017	2020	5.3	medium	3	0
zoledronic acid	1	1,1-bis(phosphonic acid); imidazoles	bone density conservation agent	2023	2023	1.0	low	0	1
artemisinin	1	organic peroxide; sesquiterpene lactone	antimalarial; plant metabolite	2023	2023	1.0	low	0	1
brinzolamide	1	sulfonamide; thienothiazine	antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor	2023	2023	1.0	low	0	1
1,3-dimethyluric acid	3	oxopurine	metabolite	2017	2020	5.3	low	3	0
dipropylacetamide	1	fatty amide	geroprotector; metabolite; teratogenic agent	2023	2023	1.0	low	0	1
oxprenolol hydrochloride	1			2023	2023	1.0	low	0	1
danofloxacin	3	quinolines		2017	2020	5.3	low	3	0
opipramol hydrochloride	1			2023	2023	1.0	low	0	1
moroxydine	1	biguanides		2023	2023	1.0	low	0	1
nitrefazole	3	imidazoles		2017	2020	5.3	medium	3	0
thioxolone	1	benzoxathiole	antiseborrheic	2023	2023	1.0	low	0	1
methotrimeprazine	3	phenothiazines; tertiary amine	anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist	2017	2020	5.3	low	3	0
honokiol	4	biphenyls		2017	2023	4.2	low	3	1
nobiletin	1	methoxyflavone	antineoplastic agent; plant metabolite	2023	2023	1.0	low	0	1
lycorine	1	indolizidine alkaloid	anticoronaviral agent; antimalarial; plant metabolite; protein synthesis inhibitor	2023	2023	1.0	low	0	1
leupeptin	1	aldehyde; tripeptide	bacterial metabolite; calpain inhibitor; cathepsin B inhibitor; EC 3.4.21.4 (trypsin) inhibitor; serine protease inhibitor	2023	2023	1.0	low	0	1
9-methoxyellipticine	3			2017	2020	5.3	low	3	0
3-aminophenoxazone	3	phenoxazine		2017	2020	5.3	low	3	0
tetrandrine	1	bisbenzylisoquinoline alkaloid; isoquinolines		2023	2023	1.0	low	0	1
3-deazaneplanocin	3			2017	2020	5.3	low	3	0
calpeptin	1	amino acid amide		2023	2023	1.0	low	0	1
fangchinoline	1	aromatic ether; bisbenzylisoquinoline alkaloid; macrocycle	anti-HIV-1 agent; anti-inflammatory agent; antineoplastic agent; antioxidant; neuroprotective agent; plant metabolite	2023	2023	1.0	low	0	1
tryptanthrine	3	alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound		2017	2020	5.3	low	3	0
maslinic acid	1	dihydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; plant metabolite	2023	2023	1.0	low	0	1
atovaquone	1	hydroxy-1,2-naphthoquinone		2023	2023	1.0	low	0	1
2-chlorodiazepam	3			2017	2020	5.3	medium	3	0
Polycartine B	3	phenazines		2017	2020	5.3	high	3	0
aminoquinuride dihydrochloride	3			2017	2020	5.3	high	3	0
loganin	1	beta-D-glucoside; cyclopentapyran; enoate ester; iridoid monoterpenoid; methyl ester; monosaccharide derivative; secondary alcohol	anti-inflammatory agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; EC 3.4.23.46 (memapsin 2) inhibitor; neuroprotective agent; plant metabolite	2023	2023	1.0	low	0	1
moexipril	1	peptide		2023	2023	1.0	low	0	1
aucubin	1	organic molecular entity	metabolite	2023	2023	1.0	low	0	1
catalpol	1	organic molecular entity	metabolite	2023	2023	1.0	low	0	1
thioproperazine mesylate	3	phenothiazines		2017	2020	5.3	medium	3	0
n(6)-(delta(2)-isopentenyl)adenine	3	6-isopentenylaminopurine	cytokinin	2017	2020	5.3	low	3	0
lekoptin	1	2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile		2023	2023	1.0	low	0	1
4-methyl-N-(phenylmethyl)benzenesulfonamide	3	sulfonamide		2017	2020	5.3	medium	3	0
zpck	2			2019	2020	4.5	low	2	0
n-methyladenosine	1	methyladenosine		2023	2023	1.0	low	0	1
sr141716	3	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist	2017	2020	5.3	low	3	0
(6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide	2	aromatic ketone		2017	2020	5.5	high	2	0
sivelestat	1	N-acylglycine; pivalate ester		2023	2023	1.0	low	0	1
pyronaridine	1	aminoquinoline		2023	2023	1.0	low	0	1
geniposide	1	terpene glycoside		2023	2023	1.0	low	0	1
fingolimod	3	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist	2017	2020	5.3	low	3	0
daidzin	1	7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative	plant metabolite	2023	2023	1.0	low	0	1
tesmilifene	3	diarylmethane		2017	2020	5.3	low	3	0
sophocarpine	1			2023	2023	1.0	low	0	1
marimastat	1	hydroxamic acid; secondary carboxamide	antineoplastic agent; matrix metalloproteinase inhibitor	2023	2023	1.0	low	0	1
elacridar	1			2023	2023	1.0	low	0	1
sr 27897	3	indolyl carboxylic acid		2017	2020	5.3	low	3	0
celastrol	1	monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite	2023	2023	1.0	low	0	1
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine	4	leucine derivative		2017	2023	4.2	low	3	1
norketamine	3	organochlorine compound		2017	2020	5.3	low	3	0
vadimezan	1	monocarboxylic acid; xanthones	antineoplastic agent	2023	2023	1.0	low	0	1
e 64	1	dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion	antimalarial; antiparasitic agent; protease inhibitor	2023	2023	1.0	low	0	1
indatraline	2	indanes		2019	2020	4.5	low	2	0
methotrexate	3	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent	2017	2020	5.3	low	3	0
salvinorin a	1	organic heterotricyclic compound; organooxygen compound	metabolite; oneirogen	2019	2019	5.0	low	1	0
umifenovir	1	indolyl carboxylic acid		2023	2023	1.0	low	0	1
4-diethoxyphosphorylmethyl-n-(4-bromo-2-cyanophenyl)benzamide	3			2017	2020	5.3	low	3	0
safinamide	1	amino acid amide		2023	2023	1.0	low	0	1
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide	3	phenylindole		2017	2020	5.3	low	3	0
ilomastat	1	hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid	anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent	2023	2023	1.0	low	0	1
l 741626	3	piperidines		2017	2020	5.3	low	3	0
atazanavir	1	carbohydrazide	antiviral drug; HIV protease inhibitor	2023	2023	1.0	low	0	1
dx 8951	3	pyranoindolizinoquinoline		2017	2020	5.3	low	3	0
vx 497	1			2023	2023	1.0	low	0	1
bcx 1812	1	3-hydroxy monocarboxylic acid; acetamides; cyclopentanols; guanidines	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor	2023	2023	1.0	low	0	1
naproxen	1	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic	2023	2023	1.0	low	0	1
olmesartan	1	biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent	2023	2023	1.0	low	0	1
telbivudine	1	pyrimidine 2'-deoxyribonucleoside	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor	2023	2023	1.0	low	0	1
tipifarnib	3	imidazoles; monochlorobenzenes; primary amino compound; quinolone	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor	2017	2020	5.3	low	3	0
celastrol methyl ester	1	carboxylic ester		2023	2023	1.0	low	0	1
resiquimod	1	imidazoquinoline		2023	2023	1.0	low	0	1
cyc 202	3	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	2017	2020	5.3	low	3	0
tanshinone ii a	1	abietane diterpenoid		2023	2023	1.0	low	0	1
avasimibe	3	monoterpenoid		2017	2020	5.3	low	3	0
anacardic acid	1	hydroxy monocarboxylic acid; hydroxybenzoic acid	anti-inflammatory agent; antibacterial agent; anticoronaviral agent; apoptosis inducer; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; neuroprotective agent; plant metabolite	2023	2023	1.0	low	0	1
migalastat	1	piperidines		2023	2023	1.0	low	0	1
erlotinib	1	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor	2023	2023	1.0	low	0	1
l 163191	3			2017	2020	5.3	low	3	0
limonin	1	epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound	inhibitor; metabolite; volatile oil component	2023	2023	1.0	low	0	1
dizocilpine	3	secondary amino compound; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist	2017	2020	5.3	low	3	0
scutellarin	1	glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antineoplastic agent; proteasome inhibitor	2023	2023	1.0	low	0	1
s-benzylcysteine	3	S-aryl-L-cysteine zwitterion		2017	2020	5.3	high	3	0
etravirine	1	aminopyrimidine; aromatic ether; dinitrile; organobromine compound	antiviral agent; HIV-1 reverse transcriptase inhibitor	2023	2023	1.0	low	0	1
chelidonine	4	alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid		2017	2023	4.2	low	3	1
4-n-butylresorcinol	1	resorcinols		2023	2023	1.0	low	0	1
lapatinib	3	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor	2017	2020	5.3	low	3	0
darunavir	1	carbamate ester; furofuran; sulfonamide	antiviral drug; HIV protease inhibitor	2023	2023	1.0	low	0	1
dapivirine	1			2023	2023	1.0	low	0	1
roxindole	3	indoles	alpha-adrenergic antagonist; serotonergic drug	2017	2020	5.3	low	3	0
conidendrin	3			2017	2020	5.3	high	3	0
Porfiromycine	3	mitomycin		2017	2020	5.3	high	3	0
nsc 74859	1	amidobenzoic acid; monohydroxybenzoic acid; tosylate ester	STAT3 inhibitor	2023	2023	1.0	low	0	1
nsc 95397	3	1,4-naphthoquinones		2017	2020	5.3	low	3	0
4-methyl-2-quinazolinamine	3			2017	2020	5.3	high	3	0
berbamine	1	bisbenzylisoquinoline alkaloid; isoquinolines		2023	2023	1.0	low	0	1
2-glycineamide-5-chlorophenyl-2-pyrryl ketone	3			2017	2020	5.3	high	3	0
u-104	1			2023	2023	1.0	low	0	1
niguldipine hydrochloride	2			2019	2020	4.5	medium	2	0
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one	1	glycoside		2023	2023	1.0	medium	0	1
2,5-bis(5-hydroxymethyl-2-thienyl)furan	3	thiophenes		2017	2020	5.3	low	3	0
bortezomib	1	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor	2023	2023	1.0	low	0	1
ritonavir	4	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic	2017	2023	4.2	low	3	1
tizoxanide	1	salicylamides		2023	2023	1.0	low	0	1
bardoxolone methyl	1	cyclohexenones		2019	2019	5.0	low	1	0
Destruxin B	3	cyclodepsipeptide		2017	2020	5.3	high	3	0
tosylphenylalanyl chloromethyl ketone	3	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor	2017	2020	5.3	low	3	0
arbutin	1	beta-D-glucoside; monosaccharide derivative	Escherichia coli metabolite; plant metabolite	2023	2023	1.0	low	0	1
quinidine	1	cinchona alkaloid	alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker	2023	2023	1.0	low	0	1
conessine	1	steroid alkaloid; tertiary amino compound	antibacterial agent; antimalarial; H3-receptor antagonist; plant metabolite	2023	2023	1.0	low	0	1
saquinavir	1	L-asparagine derivative; quinolines	antiviral drug; HIV protease inhibitor	2023	2023	1.0	low	0	1
abacavir	1	2,6-diaminopurines	antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor	2023	2023	1.0	low	0	1
linezolid	1	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor	2023	2023	1.0	low	0	1
cephaelin	1	pyridoisoquinoline		2023	2023	1.0	low	0	1
(-)-usnic acid	1	usnic acid	EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor	2023	2023	1.0	medium	0	1
acetylleucyl-leucyl-norleucinal	1	aldehyde; tripeptide	cysteine protease inhibitor	2023	2023	1.0	low	0	1
trichostatin a	1	antibiotic antifungal agent; hydroxamic acid; trichostatin	bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector	2019	2019	5.0	low	1	0
resveratrol	1	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger	2023	2023	1.0	low	0	1
tacrolimus	1	macrolide lactam	bacterial metabolite; immunosuppressive agent	2023	2023	1.0	low	0	1
lycopene	1	acyclic carotene	antioxidant; plant metabolite	2023	2023	1.0	low	0	1
zithromax	1	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic	2023	2023	1.0	low	0	1
roflumilast	1	aromatic ether; benzamides; chloropyridine; cyclopropanes; organofluorine compound	anti-asthmatic drug; phosphodiesterase IV inhibitor	2023	2023	1.0	low	0	1
L-cycloserine	1	4-amino-1,2-oxazolidin-3-one	anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor	2023	2023	1.0	low	0	1
h 89	1	N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide		2023	2023	1.0	low	0	1
bevirimat	1	dicarboxylic acid monoester; monocarboxylic acid; pentacyclic triterpenoid	HIV-1 maturation inhibitor; metabolite	2023	2023	1.0	low	0	1
sitafloxacin	1	fluoroquinolone antibiotic; quinolines; quinolone antibiotic		2019	2019	5.0	low	1	0
benzyloxycarbonylleucyl-leucyl-leucine aldehyde	1	amino aldehyde; carbamate ester; tripeptide	proteasome inhibitor	2023	2023	1.0	low	0	1
tenofovir	1	nucleoside analogue; phosphonic acids	antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor	2023	2023	1.0	low	0	1
posaconazole	1	aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles	trypanocidal drug	2023	2023	1.0	low	0	1
gw 257406x	1			2023	2023	1.0	low	0	1
shikonin	1	hydroxy-1,4-naphthoquinone		2023	2023	1.0	low	0	1
4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide	1	tropane alkaloid		2023	2023	1.0	medium	0	1
cmx 001	1			2023	2023	1.0	low	0	1
amd 8664	1			2023	2023	1.0	medium	0	1
bay 41-4109	1			2023	2023	1.0	low	0	1
bay 57-1293	1			2023	2023	1.0	low	0	1
2'-c-methylcytidine	4			2017	2023	4.2	low	3	1
isoxanthohumol	1	flavanones		2023	2023	1.0	low	0	1
jp-1302	3			2017	2020	5.3	medium	3	0
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide	1	aromatic ether		2023	2023	1.0	low	0	1
mecarbinate	1			2023	2023	1.0	low	0	1
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one	3	benzodiazepine		2017	2020	5.3	high	3	0
tenatoprazole	3	imidazopyridine		2017	2020	5.3	low	3	0
s 1033	3	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor	2017	2020	5.3	low	3	0
acetyl-aspartyl-glutamyl-valyl-aspartal	1	tetrapeptide	protease inhibitor	2023	2023	1.0	low	0	1
5-[(2-fluoroanilino)methyl]-8-quinolinol	3	hydroxyquinoline		2017	2020	5.3	high	3	0
benidipine hydrochloride	2			2017	2020	5.5	low	2	0
benidipine	1			2019	2019	5.0	low	1	0
octotropine methylbromide	1			2023	2023	1.0	low	0	1
2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one	3	quinazolines		2017	2020	5.3	high	3	0
chlorprothixene	3	chlorprothixene		2017	2020	5.3	medium	3	0
mercaptopurine	1	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent	2023	2023	1.0	low	0	1
jrf 12	4			2017	2023	4.2	medium	3	1
3,4'-dihydroxyflavone	1			2023	2023	1.0	medium	0	1
3-(3,4-dimethoxyphenyl)propenoic acid	1	methoxycinnamic acid		2023	2023	1.0	low	0	1
5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester	3	methoxybenzenes; substituted aniline		2017	2020	5.3	high	3	0
isoferulic acid	1	ferulic acids	antioxidant; biomarker; metabolite	2023	2023	1.0	low	0	1
3-hydroxypyridine, sodium salt	3			2017	2020	5.3	high	3	0
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide	3	naphthalenecarboxamide		2017	2020	5.3	medium	3	0
cyclouridine	1			2023	2023	1.0	medium	0	1
5-[(2-bromoanilino)methyl]-8-quinolinol	3	hydroxyquinoline		2017	2020	5.3	high	3	0
3-amino-n-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide	3			2017	2020	5.3	medium	3	0
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline	3	aromatic amine		2017	2020	5.3	high	3	0
curcumin	1	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger	2023	2023	1.0	low	0	1
1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinecarboxamide	3	piperidinecarboxamide		2017	2020	5.3	high	3	0
5-[[2-(trifluoromethyl)anilino]methyl]-8-quinolinol	3	hydroxyquinoline		2017	2020	5.3	high	3	0
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide	3	acetamides; anilide		2017	2020	5.3	high	3	0
5-bromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide	3	aromatic amide; thiophenes		2017	2020	5.3	high	3	0
6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone	3	dimethoxybenzene		2017	2020	5.3	high	3	0
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide	3	aromatic amide		2017	2020	5.3	high	3	0
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide	3	aromatic ether		2017	2020	5.3	high	3	0
3-chloro-1-(2,5-dimethoxyphenyl)-4-(1-piperidinyl)pyrrole-2,5-dione	3	maleimides		2017	2020	5.3	high	3	0
Src Inhibitor-1	3	aromatic ether; polyether; quinazolines; secondary amino compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	2017	2020	5.3	high	3	0
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one	3	dimethoxybenzene		2017	2020	5.3	high	3	0
zucapsaicin	1	methoxybenzenes; phenols		2023	2023	1.0	low	0	1
nbd 556	1			2023	2023	1.0	low	0	1
2-phenyl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide	3	quinolines		2017	2020	5.3	high	3	0
3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine	3	pyrroles		2017	2020	5.3	high	3	0
thioguanine anhydrous	1	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent	2023	2023	1.0	low	0	1
4,5,6,7-tetrachloroindan-1,3-dione	1			2023	2023	1.0	medium	0	1
bi-78d3	3	aryl sulfide		2017	2020	5.3	medium	3	0
srpin340	1			2023	2023	1.0	low	0	1
pr-619	1			2023	2023	1.0	medium	0	1
p5091	1			2023	2023	1.0	low	0	1
kartogenin	3			2017	2020	5.3	low	3	0
trovirdine	1			2023	2023	1.0	low	0	1
fti 277	1			2023	2023	1.0	medium	0	1
toremifene	1	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator	2019	2019	5.0	low	1	0
u 0126	1	aryl sulfide; dinitrile; enamine; substituted aniline	antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent	2023	2023	1.0	low	0	1
vicriviroc	1	(trifluoromethyl)benzenes		2023	2023	1.0	low	0	1
telaprevir	1	cyclopentapyrrole; cyclopropanes; oligopeptide; pyrazines	antiviral drug; hepatitis C protease inhibitor; peptidomimetic	2023	2023	1.0	low	0	1
orlistat	1	beta-lactone; carboxylic ester; formamides; L-leucine derivative	anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor	2023	2023	1.0	low	0	1
vx-745	3	aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine	anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	2017	2020	5.3	low	3	0
dasatinib	4	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor	2017	2023	4.2	low	3	1
zd 6474	3	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor	2017	2020	5.3	low	3	0
N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide	2	indoles		2019	2020	4.5	high	2	0
yya-021	1			2023	2023	1.0	medium	0	1
nih-12848	3			2017	2020	5.3	high	3	0
2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide	3	quinazolines		2017	2020	5.3	high	3	0
[1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone	3	benzimidazoles		2017	2020	5.3	high	3	0
2-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzonitrile	3	imidazopyridine		2017	2020	5.3	high	3	0
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one	3	aromatic ketone		2017	2020	5.3	high	3	0
4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester	3	oxopurine		2017	2020	5.3	high	3	0
N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester	3	organonitrogen compound; organosulfur compound		2017	2020	5.3	high	3	0
6-bromo-2-(4-methylphenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide	3	quinolines		2017	2020	5.3	high	3	0
LSM-1924	3	organic heterotricyclic compound; organooxygen compound		2017	2020	5.3	high	3	0
ferrostatin-1	3	ethyl ester; primary arylamine; substituted aniline	antifungal agent; antioxidant; ferroptosis inhibitor; neuroprotective agent; radiation protective agent; radical scavenger	2017	2020	5.3	low	3	0
sb 415286	1	C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline	antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent	2023	2023	1.0	low	0	1
6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine	3	C-nitro compound		2017	2020	5.3	high	3	0
sitagliptin	1	triazolopyrazine; trifluorobenzene	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic	2023	2023	1.0	low	0	1
rabeprazole(1-)	2	organic nitrogen anion		2019	2020	4.5	high	2	0
ncgc00099374	3			2017	2020	5.3	high	3	0
2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide	3	benzamides		2017	2020	5.3	high	3	0
tak-220	1			2023	2023	1.0	medium	0	1
jtk-303	1	aromatic ether; monochlorobenzenes; organofluorine compound; quinolinemonocarboxylic acid; quinolone	HIV-1 integrase inhibitor	2023	2023	1.0	low	0	1
nbd 557	1			2023	2023	1.0	medium	0	1
luteolin	3	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist	2017	2020	5.3	low	3	0
5'-o-caffeoylquinic acid	1	cinnamate ester; cyclitol carboxylic acid	plant metabolite	2023	2023	1.0	medium	0	1
luteolin-7-glucoside	1	beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antioxidant; plant metabolite	2023	2023	1.0	low	0	1
cyclosporine	2			2019	2023	3.0	medium	1	1
kaempferol	3	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite	2017	2020	5.3	low	3	0
harmine	1	harmala alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite	2023	2023	1.0	low	0	1
genistein	3	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor	2017	2020	5.3	low	3	0
eprosartan	1	dicarboxylic acid; imidazoles; thiophenes	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic	2023	2023	1.0	low	0	1
mycophenolate mofetil	4	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug	2017	2023	4.2	medium	3	1
entacapone	1	2-nitrophenols; catechols; monocarboxylic acid amide; nitrile	antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor	2023	2023	1.0	low	0	1
bruceantin	3	triterpenoid		2017	2020	5.3	low	3	0
amentoflavone	1	biflavonoid; hydroxyflavone; ring assembly	angiogenesis inhibitor; antiviral agent; cathepsin B inhibitor; P450 inhibitor; plant metabolite	2023	2023	1.0	low	0	1
baicalein	1	trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger	2023	2023	1.0	low	0	1
chrysin	3	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite	2017	2020	5.3	low	3	0
genkwanin	1	dihydroxyflavone; monomethoxyflavone	metabolite	2023	2023	1.0	low	0	1
hyperoside	1	beta-D-galactoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	hepatoprotective agent; plant metabolite	2023	2023	1.0	low	0	1
mangostin	1	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite	2023	2023	1.0	low	0	1
3-methylquercetin	1	7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone	anticoagulant; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite	2023	2023	1.0	low	0	1
kaempferide	1	7-hydroxyflavonol; monomethoxyflavone; trihydroxyflavone	antihypertensive agent; metabolite	2023	2023	1.0	low	0	1
orientin	1	3'-hydroxyflavonoid; C-glycosyl compound; tetrahydroxyflavone	antioxidant; metabolite	2023	2023	1.0	low	0	1
scutellarein	1	tetrahydroxyflavone	metabolite	2023	2023	1.0	low	0	1
daidzein	3	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite	2017	2020	5.3	low	3	0
trans-2,3',4,5'-tetrahydroxystilbene	1	stilbenoid		2023	2023	1.0	low	0	1
polydatin	1	beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid	anti-arrhythmia drug; antioxidant; geroprotector; hepatoprotective agent; metabolite; nephroprotective agent; potassium channel modulator	2023	2023	1.0	low	0	1
chicoric acid	1	organooxygen compound	geroprotector; HIV-1 integrase inhibitor	2023	2023	1.0	low	0	1

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
Scientific reports, , 11-26, Volume: 10, Issue:1, 2020

Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
Bioorganic & medicinal chemistry, , 07-15, Volume: 27, Issue:14, 2019

Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3, 2017

In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
Disease models & mechanisms, , 03-01, Volume: 16, Issue:3, 2023

Condition	Studies	First Year	Last Year	Average Age	Relationship Strength	2010's
Congenital Zika Syndrome	1	2020	2020	4.0	high	1
Disease Models, Animal	1	2020	2020	4.0	high	1
Zika Virus Infection	1	2020	2020	4.0	high	1

Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
Proceedings of the National Academy of Sciences of the United States of America, , 12-08, Volume: 117, Issue:49, 2020

n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide

Description

Cross-References

Synonyms (31)

Roles (1)

Drug Classes (4)

Protein Targets (1)

Inhibition Measurements

Bioassays (27)

Research

Studies (8)

Study Types

Bioavailability (2)

n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide

Description

Cross-References

Synonyms (31)

Roles (1)

Drug Classes (4)

Protein Targets (1)

Inhibition Measurements

Bioassays (27)

Research

Studies (8)

Study Types

Related Drugs (982)

Drugs in this Class (122)

Drugs with this Function (1)

Drugs Involved in Assays Together (861)

Related Conditions (3)

Bioavailability (2)