Table 2.

Summary of modeling parameters from CoMFA and CoMSIA analyses

Statistics	CoMFA	CoMSIA
q2a	0.548	0.579
Spressb	0.885	0.799
r2c	0.949	0.876
rpredd	0.775	0.700
SEEe	0.282	0.435
Componentsf	8	5
Fg	271.8	190.0
Pr2=0h	0.000	0.000
Fraction
Steric	0.465	0.185
Electrostatic	0.535	0.435
Hydrophobic	/	0.380

^aCross-validated correlation coefficient after the leave-one-out procedure.

^bCross-validated standard error of prediction.

^cNon-cross-validated correlation coefficient.

^dCorrelation coefficient for test set predictions.

^eStandard error of estimate

^fOptimum number of components.

^gF-test value.

^hProbability of obtaining the observed F ratio value by chance alone.