Table 3. Model performance on previously unseen data. The bioassays under study were first cross-checked for common compounds used for model building. Only previously unseen compounds are used for model performance.
| AID-488745 | AID-488752 | AID-504848 | ||||
| Predicted | Predicted | Predicted | Predicted | Predicted | Predicted | |
| Active | Inactive | Active | Inactive | Active | Inactive | |
| GLM | 114/154 | 613/800 | 106/134 | 684/883 | 547/966 | 188/223 |
| RF | 129/154 | 621/800 | 118/134 | 684/883 | 564/966 | 187/223 |
| C5.0 | 126/154 | 608/800 | 117/134 | 669/883 | 599/966 | 182/223 |
| KNN | 95/154 | 412/800 | 82/134 | 448/883 | 534/966 | 149/223 |
| SVM | 139/154 | 516/800 | 123/134 | 558/883 | 593/966 | 185/223 |