Table 2.
CoMFA analyses based on training set | |
---|---|
PLS statistics | |
q2 (CV correlation coefficient) | 0.605 |
n (number of component) | 5 |
S (standard error of prediction) | 0.133 |
r2 (correlation coefficient) | 0.9415 |
F (F-ratio) | 88.259 |
Field distribution (%) | |
Steric | 0.834 |
Electrostatic | 0.166 |