Table III.
QSAR SoM rankings of ligands with an active docking pose.
| Fraction of Ligands with Rank | Total Number of Active Ligands | |||
|---|---|---|---|---|
| QSAR Model | Top 1 | Top 2 | Top 3 | |
| X-ray | 0.77 | 0.87 | 0.98 | 47 |
| Pseudo-apo Ensemble | 0.91 | 1.00 | 1.00 | 70 |
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