Alert | SMARTS a | Hepatotoxic b (178) | Possible hepatotoxic c (243) | Nonhepatotoxic d (186) | p-value e |
---|---|---|---|---|---|
1 | C12CCCCC1C3C(CCC3)CC2 | 19 | 2 | 3 | <0.0001 |
2 | NN | 14 | 13 | 0 | <0.0001 |
3 | a[C!R]C(=O)[OH] | 11 | 7 | 0 | 0.0011 |
4 | [#6]S(=O)(=O)N[#6] | 18 | 16 | 3 | 0.0058 |
5 | c1ccccc1[NH2] | 7 | 4 | 0 | 0.013 |
6 | O = [S;X3] | 5 | 0 | 1 | 0.014 |
7 | [S;X2&!R] | 8 | 14 | 1 | 0.016 |
8 | a[C!R](=O)a | 10 | 4 | 1 | 0.029 |
9 | C[F,Cl,Br,I] | 21 | 23 | 7 | 0.039 |
10 | C1CC1N | 4 | 4 | 0 | 0.11 |
11 | [O]c1ccc([N])cc1 | 5 | 4 | 1 | 0.25 |
12 | N1c2ccccc2Sc2ccccc12 | 5 | 2 | 1 | 0.25 |