Table 5.

Statistical parameters of the predictability of the best CoMFA and CoMSIA analysis ^a.

	SD	PRESS	r2pred
10−9 M
CoMFA-E	0.7219	0.1798	0.751
CoMSIA-EA	0.0699	0.0038	0.946
10−10 M
CoMFA-SE	0.6282	0.1446	0.770
CoMSIA-EHA	0.6269	0.0484	0.923

^a SD is the sum of the squared deviations between the biological activity of molecules in the test set and 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, r²_pred is the predictive correlation coefficient based only on the test set molecules.