Table 3.
Statistical Parameter | CoMFA Model | CoMSIA Model |
---|---|---|
q2 | 0.750 | 0.710 |
ONC | 7 | 6 |
R2 | 0.993 | 0.975 |
SEE | 0.042 | 0.080 |
F | 383.856 | 124.834 |
R2pred | 0.6465 | 0.931 |
Contribution | ||
Steric | 0.726 | 0.140 |
Electrostatic | 0.274 | 0.334 |
Hydrophobic | 0.239 | |
H-bond donor | 0.197 | |
H-bond acceptor | 0.090 |