Table III.
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 |
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 |