From: MAIP: a web service for predicting blood‐stage malaria inhibitors
Dataset origin | Model name | Dataset size | Number of actives | Number of inactives | Ratio of active to inactive compounds |
---|---|---|---|---|---|
AZ | AZ | 11,574 | 3272 | 8302 | 0.3941 |
GSK | GSK | 2,006,390 | 13,535 | 1,992,855 | 0.0068 |
Evotec | MMV1 | 229,429 | 339 | 229,090 | 0.0015 |
Johns Hopkins | MMV2 | 2,524 | 247 | 2,277 | 0.1085 |
MRCT | MMV3 | 40,059 | 235 | 39,824 | 0.0059 |
MMV - St. Jude | MMV4 | 305,810 | 2,507 | 303,303 | 0.0083 |
MMV5 | MMV5 | 446,465 | 4,980 | 441,485 | 0.0113 |
MMV6 | MMV6 | 249,444 | 6,328 | 243,116 | 0.0260 |
MMV7 | MMV7 | 12,732 | 848 | 11,884 | 0.0714 |
Novartis | Novartis | 2,700,975 | 107,505 | 2,593,470 | 0.0415 |
St. Jude Vendor Library | StJudeVendor | 541,403 | 2,026 | 539,377 | 0.0038 |
St. Jude Screening Set | Validation set | 220,691 | 9,082 | 211,609 | 0.0429 |
MMV test set | Validation set | 5,869 | 1198 | 4671 | 0.2565 |
PubChem | Validation set | 91,796 | 384 | 91,412 | 0.0042 |