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Number of Actives, inactives, and missing datapoints in the classification sets used in the study
| Classification set | Number of actives | Missing datapoints | Number of inactives |
|---|---|---|---|
| MUV | 398 | 1,066,216 | 199,359 |
| HIV | 1232 | 0 | 31,669 |
| BBBP | 1341 | 0 | 290 |
| Tox21 | 4617 | 12,821 | 57,730 |
| SIDER | 17,440 | 0 | 13,367 |
