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Comparison of QSAR results for test and training sets.
| Fraction of Training Set Ligands with Rank | Total Number of Active Ligands | |||
|---|---|---|---|---|
| QSAR Model | Top 1 | Top 2 | Top 3 | |
| X-ray, training | 0.76 | 0.88 | 1.00 | 33 |
| X-ray, test | 0.79 | 0.86 | 0.93 | 14 |
| Pseudo-apo, training | 0.88 | 1.00 | 1.00 | 51 |
| Pseudo-apo, test | 1.00 | 1.00 | 1.00 | 19 |
