Table 2.
CoMFA | |
---|---|
PLS statistics | |
q2 (leave-one-out) | 0.615 |
q2 (five-fold) | 0.578 |
r2 | 0.966 |
S | 0.164 |
F | 133.7 |
Optimal components | 3 |
Field contribution (%) | |
Steric | 70.2 |
Electrostatic | 29.8 |
CoMFA | |
---|---|
PLS statistics | |
q2 (leave-one-out) | 0.615 |
q2 (five-fold) | 0.578 |
r2 | 0.966 |
S | 0.164 |
F | 133.7 |
Optimal components | 3 |
Field contribution (%) | |
Steric | 70.2 |
Electrostatic | 29.8 |