Table 2 Number of compounds in training and test data for all the datasets after data processing
From: Maximizing gain in high-throughput screening using conformal prediction
AID | Train active | Train inactive | Test active | Test inactive |
|---|---|---|---|---|
411 | 340 | 13,761 | 1215 | 55,187 |
868 | 326 | 19,129 | 3219 | 171,705 |
1030 | 3240 | 29,090 | 12,674 | 116,642 |
1460 | 132 | 4637 | 1057 | 41,197 |
1721 | 219 | 57,905 | 868 | 231,624 |
2314 | 3730 | 25,769 | 33,225 | 232,103 |
2326 | 190 | 51,988 | 877 | 207,835 |
2451 | 422 | 54,560 | 1594 | 218,333 |
2551 | 1681 | 25,443 | 14,951 | 227,744 |
485290 | 192 | 67,593 | 761 | 270,377 |
485314 | 857 | 62,561 | 3634 | 250,038 |
504444 | 1524 | 56,628 | 5882 | 226,723 |