Table 1.
Dataset | Chemical names | Positives | Negatives | Total |
---|---|---|---|---|
Training | 2-Acetylaminofluorene | 81 | 97 | 178 |
Amsacrine | 37 | 32 | 69 | |
Aniline | 100 | 126 | 226 | |
Aspartame | 46 | 110 | 156 | |
Doxorubicin | 138 | 61 | 199 | |
Indomethacin | 76 | 9 | 85 | |
Quercetin | 392 | 150 | 542 | |
Raloxifene | 161 | 109 | 270 | |
Test | Cyclophosphamide | 107 | 47 | 154 |
Phenacetin | 65 | 21 | 86 | |
Urethane | 106 | 98 | 204 |
The training and test sets include eight and three target chemicals, respectively. Because the ratio of positive and negative examples varies with target chemicals, our system is tuned to achieve high MAP score on the training chemicals.