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.