Table 2.

Statistics summary of CoMFA and CoMSIA models.

Alignment Method	CoMFA Model			CoMSIA Model
	GD a	PH b	CS c	GD	PH	CS
No.	1	2	3	4	5	6
q2	0.283	0.628	0.578	0.574	0.532	0.588
r2	0.42	0.941	0.867	0.97	0.859	0.834
SEE d	0.818	0.268	0.404	0.198	0.411	0.447
Fe	36.929	192.635	78.313	207.094	99.622	81.965
ONC f	1	4	4	7	3	3
Field analysis
Steric	0.663	0.619	0.698	0.177	0.224	0.263
Electrostatic	0.337	0.381	0.618	0.52	0.407	0.459
Hydrophobic	-	-	-	-	-	-
H-bond donor	-	-	-	0.303	0.369	0.277
H-bond acceptor	-	-	-	-	-	-
Test set
r2predg	0.405	0.785	0.752	0.605	0.695	0.749

^aGlide docking;

^bPharmacophore;

^cCommon substructure;

^dStandard estimated error;

^eFisher value;

^fOptimal number of components;

^gPredictive correlation coefficient for test set.