Schultz, T.W.; Hewitt, M.; Netzeva, T.I.; Cronin, M.T.D. Assessing Applicability Domains of Toxicological QSARs: Definition, Confidence in Predicted Values, and the Role of Mechanisms of Action. QSAR Comb. Sci. 2007, 26, 2, 238–254.

501 compounds | Property pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

ID	Name	pIGC50	Details
1	3-Aminobenzyl alcohol	-1.13	View
2	2-Aminobenzyl alcohol	-1.07	View
3	Benzyl alcohol	-0.83	View
4	4-Hydroxyphenethyl alcohol	-0.83	View
5	4-Aminobenzyl cyanide	-0.76	View
6	2-Nitrobenzamide	-0.72	View
7	4-Hydroxy-3-methoxybenzyl alcohol	-0.70	View
8	2-Anisidine	-0.69	View
9	(sec)Phenethyl alcohol	-0.66	View
10	Resorcinol	-0.65	View
11	1-Phenyl-2-propanol	-0.62	View
12	Phenethyl alcohol	-0.59	View
13	2-Phenyl-2-propanol	-0.57	View
14	3-Amino-2-cresol	-0.55	View
15	2,4,6-Tris(dimethylaminomethyl)phenol	-0.52	View
16	4-Methylbenzyl alcohol	-0.49	View
17	Phenylacetic acid hydrazide	-0.48	View
18	3-Cyanoaniline	-0.47	View
19	Acetophenone	-0.46	View
20	2-Methylbenzyl alcohol	-0.43	View
21	(+/-)1-Phenyl-1-propanol	-0.43	View
22	2,3-Dimethylaniline	-0.43	View
23	2,6-Dimethylaniline	-0.43	View
24	n-Methylphenethylamine	-0.41	View
25	2-Methyl-1-phenyl-2-propanol	-0.41	View
26	2-Phenyl-1-propanol	-0.40	View
27	3-Fluorobenzyl alcohol	-0.39	View
28	4-Hydroxybenzyl cyanide	-0.38	View
29	4-Cyanobenzamide	-0.38	View
30	2-Fluoroaniline	-0.37	View
31	Benzyl cyanide	-0.36	View
32	3,5-Dimethylaniline	-0.36	View
33	Phenol	-0.35	View
34	2,5-Dimethylaniline	-0.33	View
35	3-Methoxyphenol	-0.33	View
36	2-Cresol	-0.29	View
37	2,4-Dimethylaniline	-0.29	View
38	β-Methylphenethylamine	-0.28	View
39	3-Methylaniline	-0.28	View
40	4-Methylphenethyl alcohol	-0.26	View
41	Benzylamine	-0.24	View
42	3-Methylbenzyl alcohol	-0.24	View
43	2-Tolunitrile	-0.24	View
44	Aniline	-0.23	View
45	3-Nitrobenzyl alcohol	-0.22	View
46	2-Ethylaniline	-0.22	View
47	3-Phenyl-1-propanol	-0.21	View
48	Benzaldehyde	-0.20	View
49	(+/-)-α-Methylbenzylamine	-0.18	View
50	2-Phenyl-3-butyn-2-ol	-0.18	View
51	2-Chloroaniline	-0.17	View
52	Hydrocinnamonitrile	-0.16	View
53	(+/-)-α-Ethylphenethyl alcohol	-0.16	View
54	4-Cresol	-0.16	View
55	2-Methylaniline	-0.16	View
56	3,4-Dimethylaniline	-0.16	View
57	3-Acetamidophenol	-0.16	View
58	4-Methoxyphenol	-0.14	View
59	Isovanillin	-0.14	View
60	Phenetole	-0.14	View
61	Chlorobenzene	-0.13	View
62	Benzene	-0.12	View
63	syn-Benzaldehyde oxime	-0.11	View
64	β-Ethylphenethyl alcohol	-0.11	View
65	2,4,5-Trimethoxybenzaldehyde	-0.10	View
66	Anisole	-0.10	View
67	3-Fluoroaniline	-0.10	View
68	3,5-Dimethoxyphenol	-0.09	View
69	(s+/-)-1-Phenyl-1-butanol	-0.09	View
70	Cinnamyl alcohol	-0.08	View
71	3-Cresol	-0.08	View
72	2-Nitroanisole	-0.07	View
73	α,α-Dimethylbenzenepropanol	-0.07	View
74	Propiophenone	-0.07	View
75	2,4,6-Trimethylaniline	-0.05	View
76	4-Methylaniline	-0.05	View
77	2-(4-tolyl)Ethylamine	-0.04	View
78	3-Ethylaniline	-0.03	View
79	Vanillin	-0.03	View
80	4-Hydroxy-3-methoxybenzonitrile	-0.03	View
81	Ethyl phenylcyanoacetate	-0.02	View
82	4-Methyl benzylamine	-0.01	View
83	(R+/-)-1-Phenyl-1-butanol	-0.01	View
84	Thioacetanilide	-0.01	View
85	α-Methylbenzyl cyanide	0.01	View
86	3-Phenyl-1-butanol	0.01	View
87	4-Ethoxyphenol	0.01	View
88	3-Ethoxy-4-hydroxybenzaldehyde	0.02	View
89	4-Fluorophenol	0.02	View
90	3-Nitroaniline	0.03	View
91	4-Ethylaniline	0.03	View
92	4-Chloroaniline	0.05	View
93	n-Methylaniline	0.06	View
94	Benzyl chloride	0.06	View
95	(+/-)-2-Phenyl-2-butanol	0.06	View
96	4-Ethylbenzyl alcohol	0.07	View
97	n-Ethylaniline	0.07	View
98	2-Propylaniline	0.08	View
99	2-Nitroaniline	0.08	View
100	Bromobenzene	0.08	View
101	3-Hydroxybenzaldehyde	0.08	View
102	Thiobenzamide	0.09	View
103	1-Fluoro-4-nitrobenzene	0.10	View
104	4-Methoxybenzonitrile	0.10	View
105	2-Bromobenzyl alcohol	0.10	View
106	3-Nitrobenzaldehyde	0.11	View
107	3,5-Dimethylphenol	0.11	View
108	4’-Hydroxypropiophenone	0.12	View
109	2-Isopropylaniline	0.12	View
110	2,3-Dimethylphenol	0.12	View
111	3,4-Dimethylphenol	0.12	View
112	4-Phenyl-1-butanol	0.12	View
113	4-Chlororesorcinol	0.13	View
114	2(4-Chlorophenyl)ethylamine	0.14	View
115	2,5-Dimethylphenol	0.14	View
116	Nitrobenzene	0.14	View
117	2,4-Dimethylphenol	0.14	View
118	4-Phenylbutyronitrile	0.15	View
119	2-Anisaldehyde	0.15	View
120	3-Chlorobenzyl alcohol	0.15	View
121	(+/-)-1-Phenyl-2-pentanol	0.16	View
122	2-Ethylphenol	0.16	View
123	4-Chlorobenzylamine	0.16	View
124	Cinnamonitrile	0.16	View
125	2-Nitrobenzaldehyde	0.17	View
126	4-Isopropylbenzyl alcohol	0.18	View
127	Thioanisole	0.18	View
128	2-Chloro-4-methylaniline	0.18	View
129	Isophthalaldehyde	0.18	View
130	2-Fluorophenol	0.19	View
131	4-Nitrobenzaldehyde	0.20	View
132	Butyrophenone	0.21	View
133	4-Ethylphenol	0.21	View
134	3-Chloroaniline	0.22	View
135	4-Isopropylaniline	0.22	View
136	4-(Dimethylamino)benzaldehyde	0.23	View
137	3-Anisaldehyde	0.23	View
138	1-Fluoro-2-nitrobenzene	0.23	View
139	4-Chlorobenzyl alcohol	0.25	View
140	4-Methylanisole	0.25	View
141	4-Xylene	0.25	View
142	Toluene	0.25	View
143	2,4-Dihydroxyacetophenone	0.25	View
144	2-Nitrotoluene	0.26	View
145	Pentafluoroaniline	0.26	View
146	3-Hydroxy-4-nitrobenzaldehyde	0.27	View
147	2-Phenylpyridine	0.27	View
148	2,3,6-Trimethylphenol	0.28	View
149	3-Ethylphenol	0.29	View
150	Methyl-4-methylaminobenzoate	0.31	View
151	2,6-Diethylaniline	0.31	View
152	Benzoyl cyanide	0.31	View
153	3’-Nitroacetophenone	0.32	View
154	4-Chlorophenethyl alcohol	0.32	View
155	2,5-Difluoronitrobenzene	0.33	View
156	5-Hydroxy-2-nitrobenzaldehyde	0.33	View
157	2-Bromophenol	0.33	View
158	2-Allylphenol	0.33	View
159	2-Iodoaniline	0.35	View
160	4-Chloro-2-methylaniline	0.35	View
161	4-(tert.)Butylaniline	0.36	View
162	Iodobenzene	0.36	View
163	2,3,5-Trimethylphenol	0.36	View
164	2-Amino-4-(tert.)butylphenol	0.37	View
165	4-Methyl-2-nitroaniline	0.37	View
166	3-Chloro-2-methylaniline	0.38	View
167	2-Benzylpyridine	0.38	View
168	3-Chloro-4-methylaniline	0.39	View
169	Methyl-4-nitrobenzoate	0.39	View
170	4-Chlorobenzaldehyde	0.40	View
171	2,4,6-Trimethylphenol	0.42	View
172	(2-Bromoethyl)benzene	0.42	View
173	5-Phenyl-1-pentanol	0.42	View
174	3-Nitrotoluene	0.42	View
175	Salicylaldehyde	0.42	View
176	1-Chloro-4-nitrobenzene	0.43	View
177	Dimethylnitroterephthalate	0.43	View
178	2-Amino-5-chlorobenzonitrile	0.44	View
179	3-Nitrobenzonitrile	0.45	View
180	3-Phenylpyridine	0.47	View
181	4-Isopropylphenol	0.47	View
182	4-Bromotoluene	0.47	View
183	4-tert-Butylbenzyl alcohol	0.48	View
184	Benzhydrol	0.50	View
185	5-Chloro-2-methylaniline	0.50	View
186	3-Nitrophenol	0.51	View
187	2-Chloro-5-nitrobenzaldehyde	0.53	View
188	1,2-Dichlorobenzene	0.53	View
189	Phenyl propargyl sulfide	0.54	View
190	2-Chloro-5-methylphenol	0.54	View
191	4-Chlorophenol	0.54	View
192	2-Hydroxy-4-methoxyacetophenone	0.55	View
193	2,4-Dichloroaniline	0.56	View
194	3-Nitro-2-xylene	0.56	View
195	Valerophenone	0.56	View
196	4-Methyl-2-nitrophenol	0.57	View
197	2,5-Dichloroaniline	0.58	View
198	(trans)Methyl cinnamate	0.58	View
199	5-Methyl-2-nitrophenol	0.59	View
200	5-Chloro-2-hydroxybenzamide	0.59	View
201	1,2-Dimethyl-4-nitrobenzene	0.59	View
202	2-Bromo-4-methylphenol	0.60	View
203	4-Bromophenyl acetonitrile	0.60	View
204	4-Chloroanisole	0.60	View
205	2-Isopropylphenol	0.61	View
206	4-sec-Butylaniline	0.61	View
207	4-Butoxyaniline	0.61	View
208	3-Methyl-2-nitrophenol	0.61	View
209	3-Isopropylphenol	0.61	View
210	4-Hydroxy-3-nitrobenzaldehyde	0.61	View
211	5-Bromovanillin	0.62	View
212	α,α,α-Trifluoro-4-cresol	0.62	View
213	4-Benzylpyridine	0.63	View
214	Benzylidene malononitrile	0.64	View
215	4-Propylphenol	0.64	View
216	4-Nitrotoluene	0.65	View
217	3-Iodoaniline	0.65	View
218	Benzyl methacrylate	0.65	View
219	2-Nitroresorcinol	0.66	View
220	4-Chlorobenzyl cyanide	0.66	View
221	2-Methyl-5-nitrophenol	0.66	View
222	1-Bromo-4-ethylbenzene	0.67	View
223	4-Isopropylbenzaldehyde	0.67	View
224	2-Nitrophenol	0.67	View
225	1-Chloro-2-nitrobenzene	0.68	View
226	4-Benzoylaniline	0.68	View
227	1,4-Dibromobenzene	0.68	View
228	4-bromophenol	0.68	View
229	2-Chloro-6-nitrotoluene	0.68	View
230	2-Chloro-4,5-dimethylphenol	0.69	View
231	Cumene	0.69	View
232	4-Chloro-2-methylphenol	0.70	View
233	4-Butoxyphenol	0.70	View
234	2-Hydroxy-4,5-dimethylacetophenone	0.71	View
235	Ethyl-4-nitrobenzoate	0.71	View
236	3,5-Dichloroaniline	0.71	View
237	2,4-Dinitroaniline	0.72	View
238	3-Nitroanisole	0.72	View
239	1-Chloro-3-nitrobenzene	0.73	View
240	2,6-Dichlorophenol	0.73	View
241	3-tert-Butylphenol	0.74	View
242	1-Bromo-2-nitrobenzene	0.75	View
243	2-Chloromethyl-4-nitrophenol	0.75	View
244	2-Chloro-4-nitroaniline	0.75	View
245	Isoeugenol	0.75	View
246	4,5-Difluoro-2-nitroaniline	0.75	View
247	1,1-Diphenyl-2-propanol	0.75	View
248	2,6-Diisopropylaniline	0.76	View
249	3-Chloro-5-methoxyphenol	0.76	View
250	4-Ethoxy-2-nitroaniline	0.76	View
251	1,3-Dinitrobenzene	0.76	View
252	α,α,α-4-Tetrafluoro-3-toluidine	0.77	View
253	Ethyl-4-methoxybenzoate	0.77	View
254	4-Chloro-3-methylphenol	0.80	View
255	(+/-)-1,2-Diphenyl-2-propanol	0.80	View
256	3-Chloro-4-fluoronitrobenzene	0.80	View
257	Methyl-2,5-dichlorobenzoate	0.81	View
258	Pentafluorobenzaldehyde	0.82	View
259	Methyl-4-chloro-2-nitrobenzoate	0.82	View
260	4-Bromophenyl-3-pyridyl ketone	0.82	View
261	4-Chloro-2-nitrotoluene	0.82	View
262	4-Nitrophenetole	0.83	View
263	2,6-Dinitrophenol	0.83	View
264	2,6-Dinitroaniline	0.84	View
265	4-Iodophenol	0.85	View
266	2-Nitromesitylene	0.86	View
267	1,3,5-Trichlorobenzene	0.87	View
268	2,4-Dinitrotoluene	0.87	View
269	6-Phenyl-1-hexanol	0.87	View
270	3-Chlorophenol	0.87	View
271	Benzophenone	0.87	View
272	4-(tert.)Butylphenol	0.91	View
273	4-Biphenylmethanol	0.92	View
274	3,4,5-Trimethylphenol	0.93	View
275	2,2’,4,4’-Tetrahydroxybenzophenone	0.96	View
276	4-Pentyloxyaniline	0.97	View
277	2,4-Dichloronitrobenzene	0.99	View
278	(trans)Ethyl cinnamate	0.99	View
279	4-Benzoylphenol	1.02	View
280	4-Benzoylphenol	1.02	View
281	1-Bromo-3-nitrobenzene	1.03	View
282	2,4-Dichlorobenzaldehyde	1.04	View
283	2,4-Dichlorophenol	1.04	View
284	2,5-Dinitrophenol	1.04	View
285	Biphenyl	1.05	View
286	2,4-Dinitrophenol	1.06	View
287	3,4-Dichlorotoluene	1.07	View
288	2,3-Dichloronitrobenzene	1.07	View
289	Benzyl-4-hydroxyphenyl ketone	1.07	View
290	4-Butylaniline	1.07	View
291	4-Chloro-3-ethylphenol	1.08	View
292	1,2,4-Trichlorobenzene	1.08	View
293	1-Fluoro-3-iodo-5-nitrobenzene	1.09	View
294	Resorcinol monobenzoate	1.11	View
295	4-Biphenylcarboxaldehyde	1.12	View
296	6-Chloro-2,4-dinitroaniline	1.12	View
297	2,5-Dichloronitrobenzene	1.13	View
298	3,5-Dichloronitrobenzene	1.13	View
299	6-tert-Butyl-2,4-dimethylphenol	1.16	View
300	2-Bromo-5-nitrotoluene	1.16	View
301	3,5-Dibromo-4-hydroxybenzonitrile	1.16	View
302	3,4-Dichloronitrobenzene	1.16	View
303	2,2’-Dihydroxybenzophenone	1.16	View
304	4-Bromo-2,6-dimethylphenol	1.16	View
305	4-Nitrobenzyl chloride	1.18	View
306	4-(pentyloxy)Benzaldehyde	1.18	View
307	Hexanophenone	1.19	View
308	4-Chloro-3,5-dimethylphenol	1.20	View
309	4-tert-Pentylphenol	1.23	View
310	n-Propyl cinnamate	1.23	View
311	2-Bromo-4,6-dinitroaniline	1.24	View
312	n-Butylbenzene	1.25	View
313	1,2-Dinitrobenzene	1.25	View
314	4-Bromobenzophenone	1.26	View
315	4-Phenoxybenzaldehyde	1.26	View
316	2,4-Dichloro-6-nitroaniline	1.26	View
317	4-Chloro-3-nitrophenol	1.27	View
318	4-Bromo-6-chloro-2-cresol	1.28	View
319	2,4,5-Trichloroaniline	1.30	View
320	1,4-Dinitrobenzene	1.30	View
321	2-Nitrobiphenyl	1.30	View
322	Olivetol	1.31	View
323	Ethyl-4-bromobenzoate	1.33	View
324	2’,3’,4’-Trichloroacetophenone	1.34	View
325	Phenyl benzoate	1.35	View
326	2,5-Dibromonitrobenzene	1.37	View
327	Phenyl-4-hydroxybenzoate	1.37	View
328	4-Hexyloxyaniline	1.38	View
329	2,4-Dibromophenol	1.40	View
330	2,4,6-Trichlorophenol	1.41	View
331	Phenyl isothiocyanate	1.41	View
332	2-Hydroxy-4-methoxybenzophenone	1.42	View
333	1,3,5-Trichloro-2-nitrobenzene	1.43	View
334	Benzyl benzoate	1.45	View
335	2,5-Diphenyl-1,4-benzoquinone	1.48	View
336	Isoamyl-4-hydroxybenzoate	1.48	View
337	4-Chlorobenzophenone	1.50	View
338	1,2,3-Trichloro-4-nitrobenzene	1.51	View
339	1,2,4-Trichloro-5-nitrobenzene	1.53	View
340	n-Butyl cinnamate	1.53	View
341	3,5-Dichlorosalicylaldehyde	1.55	View
342	3-Chlorobenzophenone	1.55	View
343	Heptanophenone	1.56	View
344	3,5-Dichlorophenol	1.56	View
345	4-Nitrophenyl phenyl ether	1.58	View
346	2,4-Dibromo-6-nitroaniline	1.62	View
347	Pentafluorophenol	1.63	View
348	4-Chloro-6-nitro-3-cresol	1.63	View
349	3,5-di-tert-Butylphenol	1.64	View
350	3,5-Dibromosalicylaldehyde	1.65	View
351	3-Trifluoromethyl-4-nitrophenol	1.65	View
352	4,5-Dichloro-2-nitroaniline	1.66	View
353	2,4-Dinitro-1-fluorobenzene	1.71	View
354	2-(Benzylthio)-3-nitropyridine	1.72	View
355	4,6-Dinitro-2-cresol	1.73	View
356	2,4-Chloro-6-nitrophenol	1.75	View
357	2,3,5,6-Tetrachloroaniline	1.76	View
358	4-Bromo-2,6-dichlorophenol	1.78	View
359	2,3,4,5-Tetrachloronitrobenzene	1.78	View
360	n-Amylbenzene	1.79	View
361	4-Hexylresorcinol	1.80	View
362	4-(tert.)Butyl-2,6-dinitrophenol	1.80	View
363	2,6-Iodo-4-nitrophenol	1.81	View
364	2,3,5,6-Tetrachloronitrobenzene	1.82	View
365	2,3,4,6-Tetrafluoronitrobenzene	1.87	View
366	Octanophenone	1.89	View
367	1,2,3-Trifluoro-4-nitrobenzene	1.89	View
368	2,4,6-Bromophenol	1.91	View
369	2,3,4,5-Tetrachloroaniline	1.96	View
370	4-Ethylbiphenyl	1.97	View
371	1,2,4,5-Tetrachlorobenzene	2.00	View
372	Pentachlorophenol	2.07	View
373	2,4,5-Trichlorophenol	2.10	View
374	2,4-Dinitro-1-iodobenzene	2.12	View
375	1-Chloro-2,4-dinitrobenzene	2.16	View
376	2,3,4,6-Tetrachlorophenol	2.18	View
377	1,3,5-Trichloro-2,4-dinitrobenzene hemihydrate	2.19	View
378	1,2-Dichloro-4,5-dinitrobenzene	2.21	View
379	1,5-Dichloro-2,3-dinitrobenzene	2.42	View
380	Nonylphenol	2.47	View
381	3,4,5,6-Tetrabromo-2-cresol	2.57	View
382	1,3-Dinitro-2,4,5-trichlorobenzene	2.60	View
383	Pentabromophenol	2.66	View
384	2,3,4,5-Tetrachlorophenol	2.72	View
385	1,4-Dinitrotetrachlorobenzene	2.82	View
386	3-Hydroxybenzyl alcohol	-1.02	View
387	4-Hydroxy-3-methoxybenzylamine HCl	-0.97	View
388	4-Aminobenzamide	-0.91	View
389	Benzamide	-0.91	View
390	2-(2-Hydroxyethyl)resorcinol	-0.87	View
391	4-Acetamidophenol	-0.82	View
392	4-Hydroxybenzamide	-0.78	View
393	Orcinol monohydrate	-0.39	View
394	1,2-Dicyanobenzene	-0.34	View
395	5-Chloro-2-nitrobenzamide	-0.32	View
396	Phenyl acetate	-0.23	View
397	4-Acetamidobenzaldehyde	-0.22	View
398	Methyl phenoxyacetate	-0.21	View
399	3-Nitrobenzamide	-0.19	View
400	2-Nitrobenzyl alcohol	-0.15	View
401	Methyl-3,5-dihydroxybenzoate	-0.14	View
402	5-Acetylsalicylamide	-0.10	View
403	3-Cyanophenol	-0.06	View
404	Methyl-4-cyanobenzoate	-0.05	View
405	3-Methoxybenzonitrile	0.01	View
406	3-Phenyl-1-butanol	0.01	View
407	2-Cyanophenol	0.04	View
408	4-Cyanobenzaldehyde	0.04	View
409	3-Hydroxybenzaldehyde	0.08	View
410	4-Chlorobenzamide	0.09	View
411	N,N-Dimethylbenzylamine	0.12	View
412	2-Chloro-5-methylaniline	0.20	View
413	1-Fluoro-3-nitrobenzene	0.20	View
414	3-Anisaldehyde	0.23	View
415	Salicylaldoxime	0.25	View
416	3,4-Dinitrophenol	0.27	View
417	N-Ethyl-N-methylaniline	0.29	View
418	Methyl-4-formylbenzoate	0.30	View
419	2-Iodobenzyl alcohol	0.33	View
420	4-Methyl-2-nitroaniline	0.37	View
421	Ethyl-4-cyanobenzoate	0.37	View
422	1-Bromo-4-nitrobenzene	0.38	View
423	2,3-Dinitrophenol	0.46	View
424	2-Methyl-4-nitroaniline	0.49	View
425	2-Chlorobenzaldehyde	0.49	View
426	4-Amino-3,5-dinitrobenzamide	0.51	View
427	3,5-Dinitrobenzyl alcohol	0.53	View
428	4-Nitroanisole	0.54	View
429	4-Nitrobenzonitrile	0.57	View
430	Methyl-4-ethoxybenzoate	0.58	View
431	2-Chloro-5-nitroaniline	0.60	View
432	2-Chloro-5-nitroaniline	0.60	View
433	2,6-Dichloro-4-nitrophenol	0.61	View
434	N,N-Diethylaniline	0.66	View
435	3-Benzylpyridine	0.68	View
436	2,6-Dichloro-3-methylaniline	0.69	View
437	4-Methyl-3-nitrophenol	0.74	View
438	6-Chloro-2-fluoro-3-methylbenzaldehyde	0.74	View
439	2-Methyl-3-nitrophenol	0.78	View
440	1,2,4-Trimethylbenzene	0.78	View
441	4-Chloro-3-nitrobenzotrifluoride	0.85	View
442	2-Bromo-2’-hydroxy-5’-nitroacetanilide	0.87	View
443	2,6-Dibromoaniline	0.90	View
444	3-Fluoro-4-nitrophenol	0.93	View
445	3,5-Dinitroaniline	0.94	View
446	3,5-Dinitroaniline	0.94	View
447	4-Bromo-2-fluoro-6-nitroanisole	0.97	View
448	2,5-Dinitrophenol	1.04	View
449	5-Fluoro-2-nitrophenol	1.12	View
450	4-Chloro-2,6-dinitroaniline	1.15	View
451	2-Chloro-4-nitrophenol	1.18	View
452	4-Chloro-3-nitrobenzaldehyde	1.19	View
453	2-Amino-6-chloro-4-nitrophenol	1.20	View
454	3,5-Dinitrobenzonitrile	1.22	View
455	2,6-Dinitro-4-cresol	1.23	View
456	3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde	1.24	View
457	2,6-Bromo-4-nitrophenol	1.36	View
458	n-Amylbenzoate	1.37	View
459	3,5-di(tert.)Butylaniline	1.44	View
460	4-Chloro-2,6-dibromoaniline	1.52	View
461	3,4-Dinitrotoluene	1.52	View
462	Ethyl-4-iodobenzoate	1.53	View
463	1,2,3-Trichloro-5-nitrobenzene	1.55	View
464	4-Cyclohexylphenol	1.56	View
465	3-Nitrobiphenyl	1.57	View
466	Vinyl 4-tert.butyl benzoate	1.57	View
467	4-Bromo-2-fluoro-6-nitrophenol	1.62	View
468	4-Bromo-2-fluoro-6-nitrophenol	1.62	View
469	4-Phenyltoluene	1.66	View
470	2,4-Dinitro-5-fluoroaniline	1.69	View
471	4-Chloro-3-nitrobenzonitrile	1.71	View
472	2,3,5-Trichlorobenzaldehyde	1.72	View
473	2,6-di(tert)Butyl-4-methylphenol	1.79	View
474	4-Chloro-2-nitrophenol	2.12	View
475	2,4-Dibromo-6-phenylphenol	2.21	View
476	5-Chloro-2,4-dinitrotoluene	2.33	View
477	3,5-Diiododalicyaldehyde	2.35	View
478	Nonyl-4-hydroxybenzoate	2.63	View
479	1,3-Dichloro-4,6-dinitrobenzene	2.72	View
480	Phenoxyacetamide	-0.73	View
481	1-Phenylbiguanide	-0.39	View
482	Phenyl carbamate	-0.39	View
483	γ-Phenyl-γ-butyrolactone	-0.05	View
484	Benzohydroxamic acid	0.38	View
485	1-Benzoylacetone	0.57	View
486	1-Phenyl-2-thiourea	0.61	View
487	4-Phenyl-1-butylamine	0.62	View
488	4-Nitrosophenol	0.65	View
489	trans-Cinnamaldehyde	0.68	View
490	Diethyl benzylmalonate	0.71	View
491	Benzyl thiocyanate	1.05	View
492	Benzyl acrylate	1.35	View
493	trans Chalcone	1.51	View
494	Ethyl phenylpropiolate	1.67	View
495	α-Chlorocinnamaldehyde	1.73	View
496	4-Nitrophenyl bromoacetate	1.81	View
497	Phenylpropargyl aldehyde	2.02	View
498	4-Chloro-3-nitrophenyl isothiocyanate	2.11	View
499	1-Bromomethyl-4-nitrobenzene	2.31	View
500	1,4-Dicyano-tetrafluorobenzene	2.55	View
501	Benzyl isothiocyanate	2.74	View

Bibliography

Schultz, T. W.; Hewitt, M.; Netzeva, T. I.; Cronin, M. T. D. Assessing Applicability Domains of Toxicological QSARs: Definition, Confidence in Predicted Values, and the Role of Mechanisms of Action. QSAR Comb. Sci. 2007, 26, 238–254. https://doi.org/10.1002/qsar.200630020
Schultz, T. W. TETRATOX: Tetrahymena pyriformis population growth impairment endpoint - a surrogate for fish lethality. Toxicol. Mech. Meth. 1997, 7, 289–309. https://doi.org/10.1080/105172397243079

10967/84 - QDB Compounds

QsarDB Repository

Schultz, T.W.; Hewitt, M.; Netzeva, T.I.; Cronin, M.T.D. Assessing Applicability Domains of Toxicological QSARs: Definition, Confidence in Predicted Values, and the Role of Mechanisms of Action. QSAR Comb. Sci. 2007, 26, 2, 238–254.

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