Table 1. Summary of CoMFA and CoMSIA models.

Statistics	CoMFA	CoMSIA
a	0.622	0.685
SEPb	0.586	0.534
c	0.987	0.992
SEEd	0.108	0.084
e	0.779	0.774
SEPpredf	0.263	0.273
Componentsg	10	10
Fh	216.204	353.298
i	0.000	0.000
Fraction
Steric	0.573	0.215
Electrostatic	0.427	0.330
Hydrophobic	NAj	0.455

^aLOO cross-validated correlation coefficient (training set).

^bLOO cross-validated standard error of prediction (training set).

^cNon-cross-validated correlation coefficient (training set).

^dStandard error of estimate (training set).

^eCorrelation coefficient for the test set.

^fStandard error of prediction for the test set.

^gOptimal number of components.

^hF-test value.

ⁱProbability of obtaining the F value by chance.

^jHydrophobic contribution not available in CoMFA.