Gramatica, P.; Pilutti, P.; Papa, E. Approaches for externally validated QSAR modelling of Nitrated Polycyclic Aromatic Hydrocarbon mutagenicity. SAR QSAR Environ. Res. 2007, 18, 169–178.

48 compounds | Property logTA100exp: Mutagenicity potency in TA100 without the S9 activation system [log(revertants/nmol)]

ID	Name	logTA100exp	Details
1	1,3,6-Trinitropyrene	3.87	View
2	2,4,7-Trinitro-9-fluorenone	2.27	View
3	1,3-Dinitropyrene	4.63	View
4	1,6-Dinitropyrene	4.09	View
5	1,8-Dinitropyrene	4.74	View
6	2,7-Dinitro-9-fluorenone	2.69	View
7	1-Nitrofluoranthene	3	View
8	2-Nitroanthracene	3.05	View
9	2,7-Dinitrofluorene	1.27	View
10	3-Nitrofluoranthene	3.31	View
11	8-Nitrofluoranthene	2.6	View
12	1-Nitropyrene	2.17	View
13	7-Nitrofluoranthene	2.09	View
14	2-Nitronaphthalene	0.37	View
15	2-Nitrofluorene	1.08	View
16	2-Nitrophenanthrene	1.79	View
17	1-Nitronaphthalene i	0.28	View
18	5-Nitroacenaphthene i	0.97	View
19	1,3-Dinitrobenzene	-0.51	View
20	1,3,5-Trinitrobenzene	0.72	View
21	4-Nitrotoluene	-2.1	View
22	2,3-Dinitrotoluene	-1.26	View
23	2,4-Dinitrotoluene	-1.29	View
24	2,5-Dinitrotoluene	-0.63	View
25	2,6-Dinitrotoluene	-1.34	View
26	3,4-Dinitrotoluene	-1.3	View
27	3,5-Dinitrotoluene	-0.72	View
28	2,3,4-Trinitrotoluene	0.08	View
29	2,3,5-Trinitrotoluene	0.46	View
30	2,3,6-Trinitrotoluene	0.55	View
31	2,4,5-Trinitrotoluene	1.12	View
32	2,4,6-Trinitrotoluene	0.16	View
33	3,4,5-Trinitrotoluene	1.01	View
34	1-Methyl-2-nitronaphthalene i	0.08	View
35	3-Methyl-2-nitronaphthalene i	-0.7	View
36	1,3-Dinitronaphthalene	0.86	View
37	1,5-Dinitronaphthalene	0.91	View
38	1,8-Dinitronaphthalene	1.12	View
39	2,4,5,7-Tetra-nitro-9-fluorenone	2.46	View
40	2-Nitropyrene	2.87	View
41	1,3,6,8-Tetranitropyrene	3.18	View
42	5-Nitroquinoline i	-0.7	View
43	6-Nitroquinoline i	-1.05	View
44	2-Nitrocarbazole	-0.3	View
45	3-Nitrocarbazole	-1	View
46	4-Nitrocarbazole	-0.3	View
47	9-Nitroanthracene	0.26	View
48	6-Nitrochrysene	2.21	View

Bibliography

Gramatica, P.; Pilutti, P.; Papa, E. Approaches for externally validated QSAR modelling of Nitrated Polycyclic Aromatic Hydrocarbon mutagenicity. SAR and QSAR in Environmental Research 2007, 18, 169–178. https://doi.org/10.1080/10629360601054388