Table 3. Statistics of the selected CoMFA and CoMSIA models.

Parameters	CoMFA	CoMSIA (SE)
q 2	0.774	0.676
ONC	6	6
SEP	0.425	0.509
r 2	0.965	0.949
SEE	0.167	0.201
F-value	114.795	78.237
r 2 pred	0.703	0.548
S (%)	63.0	57.2
E (%)	37.0	42.8

Notes.

q²

squared cross-validated correlation coefficient

ONC

optimal number of components

SEP

standard error of prediction

r²

squared correlation coefficient

SEE

standard error of estimation

F-value

F-test value

$r_{pred}^2$

predictive r²

S

steric

E

electrostatic