Saliner, A. G.; Netzeva, T. I.; Worth, A. P. Prediction of estrogenicity: validation of a classification model. SAR QSAR Environ. Res. 2006, 17, 195–223.

460 compounds

ID	Name	Details
t_1	17β-Estradiol	View
t_2	4,4'-Diethylethylene bisphenol i	View
t_3	4,4'-Cyclohexylidenebisphenol	View
t_4	4,4'-Thiodiphenol	View
t_5	bis(4-Hydroxyphenyl)methane	View
t_6	4,4'-Ethylidenebisphenol	View
t_7	Bisphenol A	View
t_8	4,4'-(1,3-Adamantanediyl)bisphenol	View
t_9	4,4'-Dihydroxybenzophenone	View
t_10	Bis(4-Hydroxyphenyl)sulphone	View
t_11	1,1,1-tris(4-Hydroxyphenyl)ethane	View
t_12	4,4'-Dimethoxybiphenyl	View
t_13	4,4'-Dipyridyl	View
t_14	2,4-Dihydroxybenzophenone	View
t_15	2,2',4,4'-Tetrahydroxyl benzophenone	View
t_16	4-Chloro-4'-hydroxy benzophenone	View
t_17	3-Hydroxybenzophenone	View
t_18	4-Hydroxybenzophenone	View
t_19	2,3,4-Trihydroxybenzophenone	View
t_20	2,4,4'-Trihydroxybenzophenone	View
t_21	2,2'-Dihydroxybenzophenone	View
t_22	4,4'-Dichlorobenzophenone	View
t_23	2-Hydroxybenzophenone	View
t_24	4-Methoxybenzophenone	View
t_25	4-Chlorobenzophenone	View
t_26	4-Methylbenzophenone	View
t_27	4-Nitrobenzophenone	View
t_28	Benzophenone	View
t_29	Genistein i	View
t_30	Biochanin A i	View
t_31	Naringenin i	View
t_32	Morin i	View
t_33	Daidzein i	View
t_34	Phloretin i	View
t_35	4'-Hydroxychalcone	View
t_36	Galangin i	View
t_37	Baicalein i	View
t_38	Chrysin i	View
t_39	Flavone	View
t_40	Flavanone	View
t_41	trans-Chalcone	View
t_42	2',4',6'-Trichloro-4-biphenylol	View
t_43	2',3',4',5'-Tetrachloro-4-biphenylol	View
t_44	2',5'-Dichloro-4-biphenylol	View
t_45	4'-Chloro-4-biphenylol	View
t_46	2',3',4',5'-Tetrachloro-3-biphenylol	View
t_47	2,2',5'-Trichloro-4-biphenylol	View
t_48	2',5'-Dichloro-3-biphenylol	View
t_49	4,4'-Biphenyldiol	View
t_50	4-(1-Hydroxyethyl)biphenyl	View
t_51	3-Hydroxybiphenyl	View
t_52	4-Hydroxybiphenyl	View
t_53	4-(2-Hydroxypropyl)biphenyl i	View
t_54	4-Biphenylmethanol	View
t_55	3-Chloro-4-biphenylol	View
t_56	2-Chloro-4-biphenylol	View
t_57	2-Hydroxybiphenyl	View
t_58	4-Methoxybiphenyl	View
t_59	2',5'-Dichloro-2-biphenylol	View
t_60	3,4',5-Trichloro-4-biphenylol	View
t_61	3,3',5,5'-Tetrachloro-4,4'-biphenyldiol	View
t_62	Biphenyl	View
t_63	4-(1-Adamantyl)phenol	View
t_64	4-(4-Bromophenyl)phenol	View
t_65	Ethyl 4'-hydroxy-4-biphenyl carboxylate	View
t_66	Benzyl-4-hydroxybenzoate	View
t_67	Isoamyl-4-hydroxybenzoate	View
t_68	2-Ethylhexyl 4-hydroxybenzoate	View
t_69	4-Cyclohexylphenol	View
t_70	Nonyl-4-hydroxybenzoate	View
t_71	4-(tert-Octyl)phenol	View
t_72	Phenyl-4-hydroxybenzoate	View
t_73	4-Phenoxyphenol	View
t_74	N-(4-Hydroxyphenyl)-2-naphthylamine	View
t_75	4-(Benzyloxy)phenol	View
t_76	4'-Hydroxyoctanophenone	View
t_77	Benzyl 4-hydroxyphenyl ketone	View
t_78	4-Hexanoylresorcinol	View
t_79	4-Heptyloxyphenol	View
t_80	4-Octylphenol	View
t_81	Resorcinol monobenzoate	View
t_82	Butyl-4-hydroxybenzoate	View
t_83	4-Hydroxydiphenylmethane	View
t_84	2-Hydroxydiphenylmethane	View
t_85	4-Cyclopentyl phenol	View
t_86	4-Hexyloxyphenol	View
t_87	3-Hydroxydiphenylamine	View
t_88	4-(tert-Pentyl)phenol	View
t_89	4-n-Pentylphenol	View
t_90	4-Pentyloxyphenol	View
t_91	4-Butoxyphenol	View
t_92	N-benzyl-4-hydroxyaniline	View
t_93	Ethyl-4-hydroxybenzoate	View
t_94	4-Hydroxypropiophenone	View
t_95	2-(4-Hydroxyphenyl)-5-pyrimidinol	View
t_96	4-Propoxyphenol	View
t_97	4-Propylphenol	View
t_98	2-(Benzyloxy)phenol	View
t_99	4-(Imidazol-1-yl)phenol	View
t_100	4-(4-Hydroxyphenyl)-2-butanone	View
t_101	4-Methylphenol	View
t_102	Phenol	View
t_103	5-Pentylresorcinol	View
t_104	Homovanillyl alcohol	View
t_105	1-(4-Hydroxyphenyl)-1H-tetrazole-5-thiol	View
t_106	2-Phenylhydroquinone	View
t_107	1-Benzyl-4-hydroxypiperidine	View
t_108	4-Phenylpyridine	View
t_109	2-(4-Hydroxyphenyl)ethanol	View
t_110	2-(2-Hydroxyethyl)resorcinol i	View
t_111	1-Benzyl-3-pyrrolidinol	View
t_112	Toluene	View
t_113	Chlorobenzene	View
t_114	Benzyl benzoate	View
t_115	Isoamyl benzoate	View
t_116	Methyl benzoate	View
t_117	Benzene	View
v_1	Dibutyl adipate	View
v_2	Bis(2-Butoxyethyl) phthalate	View
v_3	Dimethyl phthalate	View
v_4	Di-n-pentyl phthalate	View
v_5	Di-iso-butyl adipate	View
v_6	Diethyl adipate	View
v_7	Di-iso-propyl adipate	View
v_8	Dicyclohexyl phthalate	View
v_9	Diethyl phthalate	View
v_10	Di-iso-butyl phthalate	View
v_11	Di-n-Butyl phthalate	View
v_12	Dibutyl phthalate	View
v_13	Di-n-hexyl phthalate	View
v_14	4-Chloronitrobenzene	View
v_15	Terephthalic acid	View
v_16	Ethyl benzene	View
v_17	Styrene	View
v_18	Benzylalcohol	View
v_19	Benzaldehyde	View
v_20	N-methylaniline	View
v_21	Phenylhydrazine	View
v_22	Diphenylmethane	View
v_23	trans-Stilbene	View
v_24	Dibenzyl ether	View
v_25	N-Ethylaniline	View
v_26	n-Butyl benzene	View
v_27	1,4-Diethylbenzene	View
v_28	4-Chlorotoluene	View
v_29	4-Chloroaniline	View
v_30	1,3-Diphenylpropane	View
v_31	1,3,5-Trimethylbenzene	View
v_32	2-Methylpyridine	View
v_33	o-Tolidine	View
v_34	1,2,4-Trichlorobenzene	View
v_35	N,N-Dimethylaniline	View
v_36	Diphenylamine	View
v_37	1,2-Diethylbenzene	View
v_38	N-Phenyl-2-naphthylamine	View
v_39	2-Mercaptobenzothiazole	View
v_40	Neopentyl glycol dimethacrylate	View
v_41	trans-1,2-Diphenylcyclobutane	View
v_42	Diethylbenzene	View
v_43	1,2,3-Trimethylbenzene	View
v_44	1,2-Dinitrobenzene	View
v_45	2,4-Dichloroaniline	View
v_46	Menadione	View
v_47	2-Ethyltoluene	View
v_48	3-Ethyltoluene	View
v_49	Aniline	View
v_50	cis-Stilbene	View
v_51	4-Toluenesulfonamide	View
v_52	N-Nitrosodiphenylamine	View
v_53	1,2,3-Trichlorobenzene	View
v_54	1-Chloro-2-nitrobenzene	View
v_55	N-Phenyl-1-naphthylamine	View
v_56	Quinoline	View
v_57	4-Amino butylbenzoate	View
v_58	1,2-Dichlorobenzene	View
v_59	2-Aminotoluene	View
v_60	1,2,4-Trimethylbenzene	View
v_61	2,4-Diaminotoluene	View
v_62	2,5-Dichloroaniline	View
v_63	1,2,4,5-Tetramethylbenzene	View
v_64	1,2-Epoxyethylbenzene	View
v_65	1-Chloro-2,4-dinitrobenzene	View
v_66	2,4-Dinitroaniline	View
v_67	4-tert-Butylbenzoic acid	View
v_68	Cumene	View
v_69	α-Methylstyrene	View
v_70	Nitrobenzene	View
v_71	4-Nitrotoluene	View
v_72	2,4-Diphenyl-1-butene	View
v_73	1,3,5-Triethyltoluene i	View
v_74	4-iso-Propyl-3-methylphenol	View
v_75	4-n-Nonylphenol	View
v_76	2,4-Dimethylphenol	View
v_77	Resorcinol	View
v_78	2,4,6-Tribromophenol	View
v_79	Catechol	View
v_80	4-Hydroxybenzaldehyde	View
v_81	Hydroquinone	View
v_82	Bisphenol A diglycidyl ether	View
v_83	4-n-Heptylphenol	View
v_84	Bisphenol A ethoxylate	View
v_85	2,2'-Dihydroxybiphenyl i	View
v_86	2,4-Dinitrophenol	View
v_87	3-Nitrophenol	View
v_88	2,5-Dichlorophenol	View
v_89	3-tert-Butylphenol	View
v_90	3-Aminophenol	View
v_91	2,4-Dibromophenol	View
v_92	2,4,6-Trichlorophenol	View
v_93	2-tert-Butylphenol	View
v_94	2-Nitrophenol	View
v_95	2-sec-Butylphenol	View
v_96	2-Methylphenol	View
v_97	2,2-Bis(4-(2-hydroxy-3-methacryloxypropoxy)phenyl)propane	View
v_98	4-tert-Octylphenol polyethoxylate (5) i	View
v_99	4-Nonylphenol polyethoxylate (5) i	View
v_100	Antimony(III) chloride	View
v_101	Triphenyltin chloride	View
v_102	Tributyltin (IV) chloride i	View
v_103	Dicyclohexylamine	View
v_104	Diphenyl carbonate	View
v_105	1,2-Dibromoethane	View
v_106	Cyclohexylamine	View
v_107	Cyclohexanol	View
v_108	Cyclohexanone	View
v_109	Triethylene glycol dimethacrylate	View
v_110	Bis(2-chloroethyl) ether	View
v_111	n-Decyl alcohol	View
v_112	1-Tridecanol	View
v_113	Tris(2-chloroethyl) phosphate	View
v_114	Triethylamine	View
v_115	Chlorodibromomethane	View
v_116	Tributyl phosphate	View
v_117	Tetrachloroethylene	View
v_118	n-Butyl acrylate	View
v_119	1-Nonanol	View
v_120	Sodium lauryl sulfate	View
v_121	Trimethylolpropane triacrylate	View
v_122	Diethoxyleneglycol dimethacrylate	View
v_123	2-Chloro-1,1,2-trifluoroethyl ethyl ether	View
v_124	Trimethylolpropane trimethacrylate	View
v_125	Camphorquinone	View
v_126	1,3-Dichloropropene	View
v_127	1,1,1,2-Tetrachloroethane	View
v_128	Diethyl sulfate	View
v_129	1-Butanol	View
v_130	Didecyldimethylammonium chloride	View
v_131	Urethane dimethacrylate i	View
v_132	Bromoform	View
v_133	Bromodichloromethane	View
v_134	Dicyclopentadiene	View
v_135	Tris(butoxyethyl) phosphate	View
v_136	Isophorone	View
v_137	2-Methyl-1-propanol	View
v_138	Methyl methacrylate	View
v_139	Hexachloro-1,3-butadiene	View
v_140	Nonoxynol iodide i	View
v_141	Coumaric acid i	View
v_142	1,2,3-Trichloropropane	View
v_143	1,3-Dichloro-2-propanol	View
v_144	Monoethoxyleneglycol dimethacrylate	View
v_145	Butylated hydroxytoluene	View
v_146	Butylated hydroxyanisole i	View
v_147	Dexamethasone	View
v_148	Hydroxyflutamide	View
v_149	Benzoic acid	View
v_150	4-Hydroxybenzoic acid	View
v_151	Dodecylol polyethoxylate (3) i	View
v_152	Dodecylol polyethoxylate (5) i	View
v_153	PhIP	View
v_154	Ferulic acid	View
v_155	4-Aminobenzoic acid	View
v_156	Glycitein	View
v_157	Glycitein	View
v_158	Hinokitiol	View
v_159	Carvacrol	View
v_160	Tyramine	View
v_161	Testosterone	View
v_162	Tyrosine	View
v_163	Trp-P-2	View
v_164	MelQx	View
v_165	Thymol	View
v_166	Acetyleugenol	View
v_167	Eugenol	View
v_168	Isoeugenol	View
v_169	2-Aminoanthraquinone	View
v_170	Anthracene	View
v_171	Pyrene	View
v_172	8-Hydroxy benzo[a]pyrene	View
v_173	9-Hydroxyfluorene	View
v_174	9-Hydroxy benzo[a]pyrene	View
v_175	Benzo[e]pyrene	View
v_176	Benzo[b]fluoranthene	View
v_177	Benzo[k]fluoranthene	View
v_178	5-Hydroxy benzo[a]pyrene	View
v_179	4-Hydroxy-4'-monochlorobiphenyl	View
v_180	6-Hydroxy benzo[a]pyrene	View
v_181	4-Hydroxy benzo[a]pyrene	View
v_182	7-Hydroxy benzo[a]pyrene	View
v_183	1,6-Dinitropyrene	View
v_184	1,8-dinitropyrene	View
v_185	Benzo[a]pyrene	View
v_186	1-Hydroxy pyrene	View
v_187	1-Nitropyrene	View
v_188	Benz[a]anthracene	View
v_189	10-Hydroxy benzo[a]pyrene	View
v_190	11-Hydroxy benzo[a]pyrene	View
v_191	12-Hydroxy benzo[a]pyrene	View
v_192	1,8-Dimethylnaphthalene	View
v_193	1,2-Dimethylnaphthalene	View
v_194	2,6-Dimethylnaphthalene	View
v_195	2-Nitrofluorene	View
v_196	2-Aminoanthracene	View
v_197	2-Hydroxydibenzofuran	View
v_198	3-Nitrofluoranthene	View
v_199	1-Methylnaphthalene	View
v_200	Naphthalene	View
v_201	4-Hydroxy-2',3,5,5'-tetrachlorobiphenyl	View
v_202	7-Hydroxy-1,2,3,6,8-pentachlorodibenzofuran	View
v_203	3-Hydroxy-2,8-dichlorodibenzofuran	View
v_204	9-Hydroxy-2,6-dichlorodibenzofuran	View
v_205	6-Hydroxy-3,4-dichlorodibenzofuran	View
v_206	9-Hydroxy-3,4-dichlorodibenzofuran	View
v_207	Xylylcarb	View
v_208	Chinomethionate	View
v_209	Fenthoate	View
v_210	Mancozeb	View
v_211	Chloropropham	View
v_212	Simetryne	View
v_213	Heptachlor epoxide	View
v_214	Chlorobenside	View
v_215	Carbendazim	View
v_216	1,4-Dichlorobenzene	View
v_217	Propoxur	View
v_218	benzoepin	View
v_219	Fensulfothion	View
v_220	Malathion	View
v_221	Fenitrothion	View
v_222	Simazine	View
v_223	Maneb	View
v_224	Kitazin	View
v_225	Captan	View
v_226	Thiram	View
v_227	Ziram	View
v_228	Propazin	View
v_229	Thiabendazole	View
v_230	Carbofuran	View
v_231	Trifluralin	View
v_232	Alachlor	View
v_233	Malaoxon	View
v_234	Edifenphos	View
v_235	Nitrofen	View
v_236	Chlornitrofen	View
v_237	Isoxathion	View
v_238	Chlorothalonil	View
v_239	Atrazine	View
v_240	O-Ethyl O-(4-nitrophenyl) phenylphosphonothioate	View
v_241	Metribuzin	View
v_242	Cyanazine	View
v_243	Molinate	View
v_244	Tetrachlorovinphos	View
v_245	Phosalone	View
v_246	Thiophanate-methyl	View
v_247	Propyzamide	View
v_248	Triforine	View
v_249	Tetrachlorophthalide	View
v_250	Thiobencarb	View
v_251	Primiphos-methyl	View
v_252	Aldrin	View
v_253	α-Hexachlorocyclohexane	View
v_254	Procymidone	View
v_255	Linuron	View
v_256	β-Benzoepin	View
v_257	Diazinon	View
v_258	Diflubenzuron	View
v_259	Iprodione	View
v_260	2-(1-methylpropyl)phenyl methylcarbamate	View
v_261	Pendimethalin	View
v_262	Metamitron	View
v_263	Bifenox	View
v_264	Triadimefon	View
v_265	Vinclozolin	View
v_266	Isoprothiolane	View
v_267	Chlorobenzilate	View
v_268	Pretilachlor	View
v_269	Triadimenol	View
v_270	Fenthion	View
v_271	Neburon	View
v_272	Chlorpyrifos-methyl	View
v_273	Ethyl parathion	View
v_274	Dieldrin	View
v_275	γ-hexachlorocyclohexane i	View
v_276	Dimepiperate	View
v_277	Dichlorvos	View
v_278	Carbaryl	View
v_279	Cyhalothrin	View
v_280	Fluazifop-butyl	View
v_281	Propanil	View
v_282	Endrin	View
v_283	Methoxychlor	View
v_284	Mefenacet	View
v_285	Bromobutide	View
v_286	Heptachlor	View
v_287	Tefluthrin	View
v_288	Toxaphene	View
v_289	Pentachloronitrobenzene	View
v_290	Esprocarb	View
v_291	Pentachlorophenol	View
v_292	Fenoprop	View
v_293	2,4,5-Trichlorophenoxyacetic acid	View
v_294	2,4-dichlorophenoxyacetic acid	View
v_295	Methidathion	View
v_296	2,4,5-Trichlorophenol	View
v_297	α-Benzoepin	View
v_298	1,2-Dibromo-3-chloropropane	View
v_299	Dicloran	View
v_300	Di-n-propyl phthalate	View
v_301	Di-iso-propyl phthalate	View
v_302	Benzyl butyl phthalate	View
v_303	cis-1,2-Diphenylcyclobutane	View
v_304	4-Bromophenol	View
v_305	4-Chlorophenol	View
v_306	2,4-Dichlorophenol	View
v_307	4-Ethylphenol	View
v_308	4-n-butylphenol	View
v_309	4-n-Hexylphenol	View
v_310	4-Chloro-3-methylphenol	View
v_311	2,2-Bis(4-hydroxy-3-methylphenyl)propane	View
v_312	4-(branched)-Nonylphenol i	View
v_313	4-Chloro-3,5-xylenol	View
v_314	3,4-Dichlorophenol	View
v_315	4-tert-Butylphenol	View
v_316	4-sec-Butylphenol	View
v_317	4-Hydroxyacetophenone	View
v_318	4-tert-Octylphenol polyethoxylate (2) i	View
v_319	2,2-Bis(4-hydroxyphenyl)butane	View
v_320	4-Nonylphenol polyethoxylate (2) i	View
v_321	Diethylstilbestrol	View
v_322	17α-Ethynylestradiol	View
v_323	β-estradiol-17-acetate i	View
v_324	n-Propyl 4-hydroxybenzoate	View
v_325	Methyl 4-hydroxybenzoate	View
v_326	Coumestrol	View
v_327	Estriol	View
v_328	Apigenin	View
v_329	Dihydrotestosterone	View
v_330	Estrone	View
v_331	Equol	View
v_332	17α-Estradiol	View
v_333	3-Hydroxy benzo[a]pyrene	View
v_334	4-Hydroxy-2',4',6'-trichlorobiphenyl	View
v_335	2-Hydroxy benzo[a]pyrene	View
v_336	8-Hydroxy-3,4,6-trichlorodibenzofuran	View
v_337	2-Hydroxyfluorene	View
v_338	7-Hydroxy-3,4-dichlorodibenzofuran	View
v_339	8-Hydroxy-2,3,4-trichlorodibenzofuran	View
v_340	8-Hydroxy-3,4-dichlorodibenzofuran	View
v_341	3,8-Dihydroxy-2-chlorodibenzofuran	View
v_342	8-Hydroxy-3-chlorodibenzofuran	View
v_343	8-Hydroxy-2-chlorodibenzofuran	View

10967/213 - QDB Compounds

QsarDB Repository

Saliner, A. G.; Netzeva, T. I.; Worth, A. P. Prediction of estrogenicity: validation of a classification model. SAR QSAR Environ. Res. 2006, 17, 195–223.

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