Table 2.

Statistical parameters of the CoMFA model ^a.

Statistic Index Summary of CoMFA
	N	q2	r2	r2pred	SEE	SD	Press	F	Contribution
									Steric	Electrostatic
	7	0.71	0.998	0.823	0.057	5.18	0.92	944.1	35	65
Number of Components Analysis
SEP	0.781	0.707	0.660	0.614	0.619	0.624	0.624	0.649	0.675	0.706
q2	0.376	0.511	0.594	0.667	0.679	0.692	0.710	0.706	0.703	0.698
N	1	2	3	4	5	6	7	8	9	10

^aN is the optimal number of components, q² is the square of the LOO cross-validation (CV) coefficient, r² is the square of non cross-validation coefficient, r²_pred is the predictive r² based only on the test set molecules, SEE is the standard error of estimation of non CV analysis, SEP is the standard error of prediction of LOO analysis, SD is the sum of the squared deviations between the biological activities of molecules in the test set and the mean activity of the training-set molecules, PRESS is the sum of the squared deviations between predicted and actual biological activity values for every molecule in the test set, and F is the F-test value.