Table 2 Number of conformers and length of pharmacophore fingerprint of data sets.
From: Drug activity prediction using multiple-instance learning via joint instance and feature selection
Data set | No. of conformers | Length of pharmacophore fingerprint | |||
|---|---|---|---|---|---|
Training | Test | ||||
Total | Average | Total | Average | ||
I | 17429 | 44.6 | 5399 | 39.4 | 2979 |
II | 35434 | 88.4 | 12333 | 90.7 | 14002 |
III | 32528 | 86.1 | 9942 | 85.0 | 1542 |
IV | 41960 | 224.4 | 10746 | 170.6 | 3467 |