Table 2. Correlations between the predicted binding affinity and experimentally measured binding affinity.
| Scoring Functiona | CP | CS |
|---|---|---|
| SPA | 0.668 | 0.733 |
| X-Score/HMScore | 0.644 | 0.705 |
| DrugScoreCSD/PairSurf | 0.569 | 0.627 |
| SYBYL/ChemScore | 0.555 | 0.585 |
| DS/PLP1 | 0.545 | 0.588 |
| GOLD/ASP | 0.534 | 0.577 |
| SYBYL/G-Score | 0.492 | 0.536 |
| DS/Ludi3 | 0.487 | 0.478 |
| DS/LigScore2 | 0.464 | 0.507 |
| GlideScore/XP | 0.457 | 0.432 |
| DS/PMF | 0.445 | 0.448 |
| GOLD/ChemScore | 0.441 | 0.452 |
| NHA | 0.431 | 0.517 |
| SYBYL/D-Score | 0.392 | 0.447 |
| DS/Jain | 0.316 | 0.346 |
| GOLD/GoldScore | 0.295 | 0.322 |
| SYBYL/PMF-Score | 0.268 | 0.273 |
| SYBYL/F-Score | 0.216 | 0.243 |
aThe results except SPA are obtained from the literature24.