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Q 2 and RMSE data obtained by the Sievgene docking program and the LOO cross validation tests of the docking‐score QSAR model over all MMPs.
| Protein | No of ligands | Naïve docking | Docking‐score QSAR | ||
|---|---|---|---|---|---|
| Q2 | RMSE (kcal/mol) | Q2 | RMSE (kcal/mol) | ||
| MMP‐2 | 489 | 0.004 | 1.81 | 0.774 | 1.23 |
| MMP‐3 | 369 | 0.029 | 2.50 | 0.672 | 1.48 |
| MMP‐7 | 98 | 0.058 | 0.99 | 0.922 | 0.46 |
| MMP‐9 | 445 | 0.048 | 1.82 | 0.64 | 1.61 |
| MMP‐13 | 148 | 0.044 | 1.34 | 0.903 | 0.62 |
| Average | 309.8 | 0.037 | 1.692 | 0.782 | 1.08 |
