Drgan, V.; Župerl, Š.; Vračko, M.; Como, F.; Novič, M. Robust modelling of acute toxicity towards fathead minnow (Pimephales promelas) using counter-propagation artificial neural networks and genetic algorithm. SAR QSAR Environ. Res. 2016, 27, 501–519.

566 compounds | Property pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [mmol/L]

ID	Name	pLC50	Details
2	5-bromo-2-nitrovanillin	0.576	View
5	di-N-butylisophthalate	2.491	View
7	4,7-dithiadecane	1.375	View
8	4,9-dithiadodecane	1.839	View
11	2,4-dinitrophenol	1.141	View
12	urethane	-1.77	View
13	salicylic acid Na+	-1.13	View
16	pentobarbital	0.7	View
17	amobarbital	0.423	View
18	caffeine	0.109	View
19	2-Methyl-1,4-naphthoquinone	3.194	View
21	4-chloro-3-methylphenol	1.286	View
23	amphetamine sulphate	1.107	View
25	strychnine hemisulphate salt	2.539	View
26	aniline	-0.158	View
27	carbaryl	1.353	View
29	nicotine sulfate	1.535	View
30	2-hydroxybenzamide	0.133	View
31	hexanal	0.855	View
34	methanol	-2.963	View
36	acetone	-2.146	View
41	4'-aminopropiophenone	0.009	View
43	1-butanol	-1.368	View
44	1-pentanol	-0.729	View
46	1,1,1-trichloroethane	0.402	View
47	thiopental sodium salt	1.004	View
48	acetonitrile	-1.603	View
51	iodoform	2.13	View
52	2-methyl-2-propanol	-1.937	View
53	2,2,2-trifluoroethanol	-0.075	View
54	3,3-dimethyl-2-butanone	0.061	View
55	pentachloroethane	1.429	View
56	5,5-dimethylhydantoin	-2.109	View
58	3-methyl-1-pentyn-3-ol	-1.094	View
59	1-ethynyl cyclohexanol	-0.314	View
60	tris(2-butoxyethyl) phosphate	1.551	View
61	2-methyl-1-propanol	-1.285	View
62	1,2-dichloropropane	-0.051	View
65	2-butanone	-1.65	View
66	1-amino-2-propanol	-1.526	View
68	trichloroethylene	0.474	View
71	B-ionone	1.577	View
72	4,4'-isopropylidenebis(2,6-dichlorophenol)	2.44	View
73	p-tert-pentylphenol	1.802	View
75	A,A,2,6-tetrachlorotoluene	2.375	View
76	acenaphthene	1.95	View
77	3-methylindole	1.171	View
78	rotenone	5	View
79	diphenyl phthalate	3.602	View
80	diethyl phthalate	0.844	View
83	salicylanilide	1.732	View
84	hexachloro-1,3-butadiene	3.456	View
85	pentachlorophenol	3.081	View
87	3-trifluoromethyl-4-nitrophenol	1.355	View
91	salicylaldehyde	1.725	View
92	1-naphthol	1.493	View
93	2-phenylphenol	1.442	View
95	naphtalene	1.32	View
97	N,N-diethylcyclohexylamine	0.861	View
101	ethyl-p-aminobenzoate	0.662	View
102	piperine	1.561	View
103	2,4-dihydroxybenzaldehyde	1.023	View
104	o-xylene	0.811	View
106	1,2-dichlorobenzene	1.191	View
109	2-chlorophenol	0.969	View
111	3,4-dichlorotoluene	1.743	View
112	3,4-dichloroaniline	1.365	View
113	allyl methacr ylate	2.105	View
117	3-pentanone	-1.252	View
119	2-(diisopropylamino)ethanol	-0.141	View
120	2,4-dinitroaniline	1.072	View
121	2,2'-methylenebis(4-chlorophenol)	2.939	View
122	p-tert-butylphenol	1.465	View
123	isopropylbenzene	1.279	View
124	acetophenone	-0.13	View
125	nitrobenzene	0.015	View
127	m-nitrotoluene	0.729	View
128	N,N-dimethyl-p-toluidine	0.415	View
129	p-nitroaniline	0.043	View
131	p-dimethylaminobenzaldehyde	0.514	View
133	N,N-diethylethanolamine	-1.182	View
134	ethylbenzene	0.943	View
135	benzylamine	0.021	View
137	N-methylaniline	0.03	View
138	cyclohexanoneoxime	-0.264	View
141	solketal	-2.102	View
144	N-ethyl-m-toluidine	0.436	View
145	tripropylamine	0.449	View
146	triethanolamine	-1.898	View
147	benzyl-tertbutanol	0.393	View
150	4-acetamidophenol	-0.731	View
151	4-butylaniline	1.165	View
152	nonylphenol	3.194	View
153	2-ethyl-1-hexanol	0.664	View
154	4-chlorobenzaldehyde	1.805	View
156	5-diethylamino-2-pentanone	-0.33	View
158	2,4-dimethylphenol	0.867	View
160	dibutyl adipate	1.851	View
163	p-cresol	0.817	View
164	4-chloroaniline	0.62	View
168	1-bromopropane	0.262	View
170	1,2-dichloroethane	-0.138	View
171	2-chloroethanol	0.203	View
173	propionitrile	-1.441	View
175	ethylenediamine	-0.564	View
176	allylalcohol	2.259	View
178	acetaldoxime	-0.109	View
179	2-methyl-2,4-pentanediol	-1.957	View
181	tert-butyl sulfide	0.701	View
182	2-pentanone	-1.158	View
183	4-methyl-2-pentanone	-0.732	View
184	isopropyl ether	-0.886	View
186	4-picoline	-0.636	View
187	chlorobenzene	0.824	View
188	cyclohexanol	-0.847	View
191	3-picoline	-0.19	View
194	2-methylpiperazine	-1.35	View
195	propyl acetate	0.231	View
196	1,3-dibromopropane	1.918	View
198	butylamine	-0.564	View
200	1,3-diaminopropane	-1.206	View
202	2-methoxyethylamine	-0.844	View
203	diethylamine	-1.068	View
205	tetrahydrofuran	-1.476	View
207	t-butyldisulfide	2.115	View
210	2-heptanone	-0.06	View
211	hexane	1.537	View
213	amylamine	-0.308	View
215	2-butyne-1,4-diol	0.206	View
218	pyridine	-0.127	View
219	S-trioxane	-1.82	View
221	2-octanone	0.552	View
222	2-ethoxyethyl acetate	0.497	View
226	diethanolamine	-2.651	View
229	N-heptylamine	0.723	View
230	1,4-dicyanobutane	-1.252	View
231	1-heptanol	0.527	View
232	1-bromoctane	2.363	View
234	1-octanol	0.95	View
235	2-(2-ethoxyethoxy)ethanol	-2.296	View
237	2-undecanone	2.055	View
246	fensulfothion	0.854	View
250	2,4,6 tribromophenol	1.704	View
251	4-amino-2-nitrophenol	0.629	View
252	benzophenone	1.108	View
253	N-phenyldiethanolamine	-0.608	View
257	2,4-dichlorophenol	1.323	View
259	3-ethoxy-4-hydroxybenzaldehyde	0.278	View
260	vanillin	0.426	View
261	N,N-dimethylaniline	0.19	View
262	1-chloro-3-nitrobenzene	0.923	View
266	diphenylamine	1.65	View
267	2-phenoxyethanol	-0.396	View
269	2-methylvaleraldehyde	0.727	View
270	2,4-pentanedione	-0.243	View
271	ethylhexanoate	1.21	View
272	butanal	0.654	View
273	butyl acetate	0.81	View
274	1,4-dioxane	-2.048	View
275	dodecylamine	3.252	View
276	tributylphosphate	1.384	View
277	5,5-dimethyl-1,3-cyclohexanedione	-1.914	View
278	1-chloro-2-propanol	-0.414	View
279	tetrachloroethylene	1.093	View
281	2,6-di-tert-butyl-4-methylphenol	2.783	View
282	saccharin sodium salt hydrate	-1.95	View
284	phenyl-4-aminosalicylate	1.744	View
287	1-(2-aminoethyl)piperazine	-1.229	View
288	dibutylsuccinate	1.713	View
289	diethyl adipate	1.081	View
292	m-diethylbenzene	1.51	View
296	butyl ether	0.606	View
297	1-nonanol	1.403	View
298	di-N-hexylamine	2.376	View
299	O-vanillin	1.767	View
300	3-methoxyphenol	0.225	View
302	p-dimethoxybenzene	0.072	View
304	1,4-diazabicyclo[2.2.2]octane	-1.188	View
306	disulfoton	1.839	View
307	Secobarbital sodium salt	1.043	View
309	2,5-dinitrophenol	1.739	View
310	diuron	1.215	View
311	p-fluorophenyl ether	2.235	View
312	diazinon	1.513	View
314	A,A,A-trifluor-M-tolunitril	0.555	View
315	4-fluoroaniline	0.818	View
316	2-chloro-6-fluorobenzaldehyde	1.227	View
317	A,A,A,4-tetrafluoro-o-toluidine	0.782	View
320	A,A,A-trifluoro-M-tolualdehyde	2.277	View
322	[(1S)-ENDO]-(-)-borneol	0.417	View
324	cineole	0.18	View
325	neoabietic acid	2.248	View
326	2,3-dihydrobenzofuran	0.168	View
327	exo-norborneol	-0.308	View
328	norbornylene	0.974	View
329	2,6-pyridinedicarboxylic acid	-0.285	View
330	3-pyridinecarboxaldehyde	0.815	View
332	2,3-dimethyl-1,3-butadiene	1.075	View
334	flavone	1.803	View
336	o-tolunitrile	0.418	View
339	4,6-dinitro-o-cresol	2.007	View
341	tert-butyl acetate	-0.449	View
344	2'-hydroxy-4'-methoxyacetophenone	0.481	View
345	o-nitrobenzaldehyde	0.959	View
349	1,2-dibromobenzene	1.765	View
350	N-allylaniline	0.569	View
351	4-ethylaniline	0.22	View
352	isovaleraldehyde	1.423	View
355	manool	3.387	View
357	1,2-dimethylpropylamine	-0.513	View
360	diethyl benzylmalonate	1.664	View
362	2,4,6-triiodophenol	2.592	View
366	4-ethoxy-2-nitroaniline	0.846	View
367	methyl-p-nitrobenzoate	0.881	View
368	4-nitrobenzamide	0.097	View
370	benzyl sulfoxide	0.459	View
371	3-acetamidophenol	-0.874	View
373	A,A'-dichloro-p-xylene	3.658	View
375	1,5-dichloropentane	0.746	View
376	1-bromoheptane	2.086	View
377	propyl disulfide	1.759	View
378	1,6-dicyanohexane	-0.588	View
379	2,3,4-trichloroaniline	1.732	View
380	5-chlorosalicylaldehyde	2.308	View
381	4-propylphenol	1.093	View
382	pentafluorobenzaldehyde	2.251	View
383	2,2-dichloroacetamide	-0.275	View
384	1-methylheptylamine	1.403	View
385	2-decanone	1.438	View
386	pentyl ether	1.702	View
387	4-methyloxazole	-1.223	View
388	2-methylimidazole	-0.542	View
389	2-adamantone	0.393	View
390	A-decanolactone	0.976	View
391	4,6-dimethoxy-2-hydroxybenzaldehyde	1.832	View
394	3,4-dichloro-1-butene	1.127	View
397	2,5-dimethyl-2,4-hexadiene	1.465	View
398	1 adamantanamine	0.782	View
399	3-cyano-4,6-dimethyl-2-hydroxypyridine	-0.025	View
400	2,3,4,5,6-pentafluoroaniline	0.693	View
403	2-hydroxyethyl acrylate	1.384	View
404	1-octyn-3-ol	2.485	View
405	2-nonanone	0.971	View
406	trans-1,2-dichlorocyclohexane	0.92	View
407	p-phenoxyphenol	1.575	View
411	diphenyl disulfide	3.301	View
412	ethyl-3-aminobenzoate	0.52	View
414	1,5-hexadien-3-ol	0.411	View
415	3-butyn-1-ol	0.288	View
416	trans-3-hexen-1-ol	-0.58	View
419	4-phenylpyridine	0.984	View
421	2-hydroxypropyl acrylate	1.557	View
422	2-amino-5-bromopyridine	-0.01	View
423	diethyl benzylphosphonate	-0.168	View
424	4-acetylpyridine	-0.142	View
429	A-bromo-2' 5'-dimethoxyacetophenone	3.469	View
431	3,4-dimethyl-1-pentyn-3-ol	-0.262	View
432	N-vinylcarbazole	4.699	View
433	3-benzyloxyaniline	1.338	View
435	tert-butyl methyl ether	-0.882	View
436	1,9-decadiene	2.678	View
439	3,5-dibromo-4-hydroxybenzonitrile	1.382	View
441	2-allylphenol	0.952	View
442	4-tert-butylstyrene	2.514	View
444	3-chloro-2-chloromethyl-1-propene	2.818	View
445	3,5-dichloro-4-hydroxybenzonitrile	0.889	View
448	2,6-dichlorobenzamide	-0.392	View
449	N-decylamine	2.184	View
452	O-ethyl O-(p-nitrophenyl)phenylphosphonothioate	3.62	View
454	4-chlorocatechol	1.961	View
458	1-(p-toluenesulfonyl)imidazole	0.726	View
460	N-octylcyanide	1.453	View
464	2,3,6-trimethylphenol	1.22	View
465	N-undecylcyanide	2.625	View
467	2,4-dichlorobenzamide	0.298	View
469	4,5-dichloroguaiacol	1.635	View
470	benzyl methacrylate	1.577	View
472	p-(tert-butyl)-phenyl-N-methylcarbamate	1.317	View
478	chlorpyrifos	2.842	View
479	5-bromovanillin	0.588	View
480	cyclohexyl acrylate	2.018	View
481	triethyl nitrilotricarboxylate	1.244	View
483	2,3,5,6-tetrachloroaniline	2.932	View
484	2,6-diphenylpyridine	3.041	View
486	2,3-dimethylvaleraldehyde	0.854	View
489	isopropyl disulfide	1.257	View
491	isopropyl methacrylate	0.528	View
493	2,3,4,5-tetrachlorophenol	2.752	View
494	1,2-bis(4-pyridyl)ethane	0.086	View
497	5-chloro-2-mercaptobenzothiazole	1.798	View
498	dimethylaminoterephthalate	1.369	View
500	3-dimethylaminopropylchloride	0.075	View
501	4'-chloro-3'nitroacetophenone	1.56	View
502	2-amino-4-chloro-6methylpyrimidine	-0.01	View
503	2,6-dimethoxytoluene	0.877	View
504	2-dimethylaminopyridine	-0.017	View
506	isopimaric acid	2.541	View
507	2-amino-5-chlorobenzonitrile	0.727	View
509	2-dodecanone	2.194	View
511	1,3,5-trichloro-2,4-dinitrobenzene	3.086	View
515	2-chloro-3-pyridinol	-0.681	View
518	1,4-bis(3-aminopropyl)piperazine	-1.19	View
519	3-hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene	2.192	View
520	1-(2-chloroethyl)pyrrolidine HCL	0.046	View
522	1-heptyn-3-ol	1.804	View
523	p-ethoxybenzaldehyde	0.728	View
524	[1(R)-ENDO]-(+)-3-bromocamphor	0.528	View
525	resmethrin	4.699	View
527	A,A,A',A'-tetrabromo-O-xylene	2.983	View
528	2',3',4'-trichloroacetophenone	2.048	View
529	2',3',4'-trimethoxyacetophenone	-0.037	View
530	diethyl chloromalonate	2.312	View
531	N-ethylbenzylamine	0.374	View
532	4-bromophenyl 3-pyridylketone	1.109	View
535	3-hydroxy-2-nitropyridine	-0.076	View
536	alachlor	1.732	View
537	4-octylaniline	3.237	View
538	methomyl	1.886	View
539	6-chloro-2-pyridinol	-0.218	View
540	3-amino-5,6-dimethyl-1,2,4-triazine	-0.885	View
541	4-(diethylamino)salicylaldehyde	1.557	View
542	6-chloro-2-picoline	-0.26	View
543	3,6-dimethyl-1-heptyn-3-ol	0.457	View
544	2,4,5-trimethyl oxazole	-0.606	View
545	4-dimethylamino-3-methyl-2-butanone	1.182	View
546	m-bromobenzamide	0.334	View
547	oxamyl	1.422	View
548	2,6-diisopropylaniline	1.096	View
549	2-methyl-3,3,4,4-tetrafluoro-2-butanol	-0.561	View
550	(+-)secbutylamine	-0.575	View
551	N-(3-methoxypropyl)-3,4,5-trimethoxybenzylamine	0.297	View
554	4-hexyloxyaniline	1.839	View
555	methyl-4-chloro-2-nitrobenzoate	0.891	View
559	3,8-dithiadecane	1.469	View
560	2'-(octyloxy)-acetanilide	2.767	View
561	p-(tert-butyl)benzamide	0.745	View
563	3-butyn-2-ol	0.777	View
565	flucythrinate	6.376	View
566	3-(3,4-dichlorophenoxy)benzaldehyde	2.951	View
567	2,4-dinitro-1-naphtol sodium salt	1.838	View
1	4-(hexyloxy)-m-anisaldehyde	1.947	View
3	p-chlorophenyl-o-nitrophenylether	2.114	View
9	2-chloroethyl-n-cyclohexylcarbamate	0.769	View
20	2,3,4,6-tetrachlorophenol	2.353	View
22	tolazoline hydrochloride	-0.255	View
28	ethanol	-2.489	View
35	2-propanol	-2.205	View
40	2,2'-methylenebis(3,4,6-trichlorophenol)	4.301	View
42	1-propanol	-1.887	View
45	benzene	0.502	View
50	dichloromethane	-0.589	View
57	3-methyl-3-pentanol	-0.818	View
63	1,2-diaminopropane	-1.134	View
67	1,1,2-trichloroethane	0.213	View
70	1,1,2,2-tetrachloroethane	0.917	View
74	1,8-diamino-p-menthane	0.416	View
81	dibutyl phthalate	2.516	View
88	anthranilamide	-0.463	View
90	2-sec-butyl-4,6-dinitrophenol	2.536	View
94	3,5-dibromosalicylaldehyde	2.517	View
98	N,N-diethylaniline	0.959	View
99	2-(N-ethyl-m-toluidino)ethanol	0.53	View
100	1-benzoylacetone	2.169	View
105	o-cresol	0.888	View
107	2-chloroaniline	1.351	View
114	2,3-dibromopropanol	0.487	View
118	2-butanoneoxime	-0.986	View
126	m-aminoacetophenone	-0.451	View
132	1,4-dinitrobenzene	2.375	View
140	2-ethylpyridine	-0.587	View
143	diphenylether	1.629	View
148	1-(2-hydroxyethyl)piperazine	-1.692	View
162	p-xylene	1.078	View
165	4-chlorophenol	1.323	View
166	4-toluidine	-0.143	View
169	acrolein	3.444	View
185	toluene	0.406	View
190	phenol	0.514	View
192	1-methylpiperazine	-1.361	View
197	1-bromobutane	0.572	View
206	furan	0.048	View
214	valeraldehyde	0.842	View
220	6-methyl-5-hepten-2-one	0.168	View
223	1-bromohexane	1.68	View
225	1-hexanol	0.019	View
227	2-hydroxyethyl ether	-2.85	View
233	octylamine	1.396	View
236	nonanoic acid	0.182	View
239	triethylene glycol	-2.601	View
240	1-decanol	1.819	View
241	propoxur	1.376	View
242	2-methyl-3-butyn-2-ol	-1.592	View
243	2,2,2-trichloroethanol	-0.301	View
245	triphenyl phosphate	2.573	View
247	aldicarb	2.345	View
248	phenyl salicylate	2.259	View
254	4-(diethylamino)benzaldehyde	0.87	View
256	1,2,4-trichlorobenzene	1.783	View
265	p-isopropylbenzaldehyde	1.35	View
268	4-ethylphenol	1.07	View
280	2-phenyl-3-butyn-2-ol	0.112	View
286	propionic acid sodium	-1.698	View
290	2-aminoethanol	-1.53	View
291	ethyl acetate	-0.417	View
293	1,3-dichloropropane	-0.064	View
303	2,3-benzofuran	0.926	View
313	1-fluoro-4-nitrobenzene	0.696	View
319	A,A,A-trifluor-O-tolunitril	0.608	View
321	4-fluoro-N-methylaniline	0.513	View
333	abietic acid	2.104	View
337	o-tolualdehyde	0.356	View
340	amylbenzene	1.938	View
343	n-butyl sulfide	1.611	View
348	2,6-dinitrophenol	0.666	View
353	2-hexanone	-0.631	View
358	2,4-dimethyl-3-pentanol	-0.147	View
359	N,N-diphenylformamide	0.875	View
361	pentabromophenol	3.721	View
365	2-chloro-4-methylaniline	0.596	View
393	2,4,6-tri-tert-butylphenol	3.638	View
401	carbophenothion	3.155	View
408	2-hydroxyethylmethacrylate	-0.242	View
409	3-bromothiophene	1.421	View
413	1,1,1,3,3,3-hexafluoro-2-propanol	-0.162	View
420	phenyl sulfoxide	0.365	View
425	methyl-p-chlorobenzoate	1.191	View
430	tetrabutyltin	3.886	View
434	carbofuran	2.419	View
437	p-phenylazophenol	2.229	View
443	5-bromosalicylaldehyde	2.189	View
447	4,4'-dihydroxydiphenyl ether	1.588	View
451	2,4,5-tribromoimidazole	1.583	View
455	methyl-2,4-dihydroxybenzoate	0.565	View
459	2' 4'-dichloroacetophenone	1.208	View
463	2-ethoxyethyl methacrylate	0.757	View
466	o-methoxybenzamide	0.1	View
468	tetrahydrofurfuryl methacrylate	0.691	View
471	hexyl acrylate	2.156	View
473	1-benzylpiperazine	0.57	View
475	tridecylamine	3.481	View
477	methyl-2,5-dichlorobenzoate	1.166	View
482	4,5-dichlorocatechol	2.304	View
492	1-hexen-3-ol	0.518	View
496	dimethyl nitroterephthalate	1.564	View
505	2,2-dimethyl-1-propylamine	-0.736	View
512	2-chloro-5-nitrobenzaldehyde	1.689	View
513	2-chloro-6-methylbenzonitrile	1.002	View
516	tripropargylamine	-0.353	View
517	N,N-bis(2,2-diethoxyethyl)methylamine	-0.384	View
534	2,2,5,5-tetramethyltetrahydrofuran	-0.117	View
552	2-(bromomethyl)-tetrahydro-2H-pyran	-0.059	View
557	fenvalerate	5	View
562	2,9-dithiadecane	1.247	View
564	3-(4-tert-butylphenoxy)benzaldehyde	2.839	View
4	3'-chloro-o-formotoluidide	0.561	View
6	1,1-diphenyl-2-propyn-1-ol	1.273	View
10	phenobarbital	-0.319	View
14	benzamide	-0.737	View
15	1,1-dimethylhydrazine	0.884	View
24	diethyl ether	-1.538	View
32	dicumarol	1.818	View
33	p-phenoxybenzaldehyde	1.634	View
37	chloroform	0.228	View
38	dimethyl sulfoxide	-2.639	View
39	hexachloroethane	2.19	View
49	ethanal	0.155	View
64	2-butanol	-1.695	View
69	methyl acetate	-0.635	View
82	azinphosmethyl	3.699	View
86	2,4,6-trichlorophenol	1.334	View
89	2-nitrophenol	-0.061	View
96	quinoline	0.22	View
108	2-fluorotoluene	0.756	View
110	1,2,4-trimethylbenzene	1.192	View
115	2-methylbutyraldehyde	0.936	View
116	1,2,3-trichloropropane	0.346	View
130	4-nitrophenol	0.375	View
136	benzaldehyde	1.144	View
139	2-cyanopyridine	-0.843	View
142	hexamethylenetetramine	-2.551	View
149	N,N-dimethylbenzylamine	0.554	View
155	5-ethyl-2-methylpyridine	0.174	View
157	diethyl malonate	1.017	View
159	dibutyl fumarate	2.686	View
161	p-bromoaniline	0.559	View
167	isobutyl acrylate	1.788	View
172	propylamine	-0.717	View
174	chloroacetonitrile	1.748	View
177	2-propyn-1-ol	1.564	View
180	tert-octylamine	0.72	View
189	cyclohexanone	-0.873	View
193	2-picoline	-0.984	View
199	allylcyanide	-0.433	View
201	malononitrile	2.072	View
204	pyrrole	-0.496	View
208	5-methyl-2-hexanone	-0.144	View
209	diethyl sebacate	1.981	View
212	1,4-dichlorobutane	0.391	View
216	2-(ethylamino)ethanol	-1.22	View
217	cyclohexane	1.269	View
224	hexylamine	0.252	View
228	di-N-propylsulfide	0.736	View
238	nonylamine	1.822	View
244	dicofol	2.788	View
249	ethyl salicylate	0.924	View
255	catechol	1.077	View
258	2,4-dinitrotoluene	0.875	View
263	malathion	1.37	View
264	2-chloro-4-nitroaniline	0.961	View
283	dibenzofuran	1.959	View
285	N,N-diethyl-m-toluamide	0.24	View
294	hexanoic acid	-0.44	View
295	hexyl acetate	1.516	View
301	4-methoxyphenol	0.053	View
305	adamantane	2.686	View
308	bromacil	0.147	View
318	o-fluorobenzaldehyde	1.963	View
323	(1S)-(-)-camphor	0.952	View
331	5-nonanone	0.662	View
335	2,4,6-trimethylphenol	1.02	View
338	benzoic acid sodium	-0.526	View
342	1,3-dichlorobenzene	1.263	View
346	4-nitro-benzaldehyde	1.175	View
347	3-methyl-2-butanone	-1.001	View
354	2-tridecanone	2.742	View
356	tetraethyltin	4.301	View
363	2,4-dimethoxybenzaldehyde	0.917	View
364	2-acetamidophenol	0.835	View
369	4-nitrophenylphenylether	1.91	View
372	4-(2-hydroxyethyl)morpholine	-1.315	View
374	2,5-dimethylfuran	0.131	View
392	propanil	1.404	View
395	N,N-dibutylformamide	0.246	View
396	2-butyn-1-ol	0.841	View
402	triphenylphosphine oxide	0.715	View
410	2,4-dichlorobenzaldehyde	1.988	View
418	2-acetyl-1-methylpyrrole	-0.105	View
426	butyl phenyl ether	1.416	View
427	methyl-4-cyanobenzoate	0.537	View
428	tetrachlorocatechol	2.291	View
438	3,5-diiodo-4-hydroxybenzonitrile	1.737	View
440	dehydroabietic acid	2.156	View
446	di-N-butylterephthalate	2.674	View
450	aminocarb	2.029	View
453	(+-)-4-pentyn-2-ol	0.38	View
456	pentachloropyridine	2.728	View
457	(1R,2S,5R)-(-)-menthol	0.917	View
461	A,A,A,4-tetrafluoro-M-toluidine	0.775	View
462	trans-2-phenyl-1-cyclohexanol	0.599	View
474	3-(3-pyridyl)-1-propanol	-0.039	View
476	2-amino-4'-chlorobenzophenone	2.039	View
485	1,3-dichloro-4,6-dinitrobenzene	3.658	View
487	2-decyn-1-ol	2.159	View
488	5-chloro-2-pyridinol	-0.944	View
490	2,4,5-trimethoxybenzaldehyde	0.598	View
495	1,3-diethyl-2-thiobarbituric acid	-1.353	View
499	3,6-dithiaoctane	0.397	View
508	1,1,1-trichloro-2-methyl-2-propanol	0.119	View
510	4-dimethylaminocinnamaldehyde	1.473	View
514	2-bromo-3-pyridinol	-0.431	View
521	N-undecylamine	2.91	View
526	terbufos	4.301	View
533	4-benzoylpyridine	0.25	View
553	4-decylaniline	3.569	View
556	5-hydroxy-2-nitrobenzaldehyde	0.601	View
558	permethrin	4.398	View

Bibliography

Russom, C. L.; Bradbury, S. P.; Broderius, S. J.; Hammermeister, D. E.; Drummond, R. A. Predicting modes of toxic action from chemical structure: Acute toxicity in the fathead minnow (Pimephales promelas). Environmental Toxicology and Chemistry 1997, 16, 948–967. https://doi.org/10.1002/etc.5620160514

10967/238 - QDB Compounds

QsarDB Repository

Drgan, V.; Župerl, Š.; Vračko, M.; Como, F.; Novič, M. Robust modelling of acute toxicity towards fathead minnow (Pimephales promelas) using counter-propagation artificial neural networks and genetic algorithm. SAR QSAR Environ. Res. 2016, 27, 501–519.

Bibliography

Search

Browse

All of QsarDB

This Collection

My Account