Table 1.

Classical statistical parameters of the comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) models.

Model		${\mathit{q}}^2$	ONC	${\mathit{R}}^2$	${\mathit{r}}_{\mathbf{pred}}^2$	SEE	F	Filed Contribution (%)
								E	H	S	D	A
CoMFA	E + S	0.679	8	0.983	0.884	0.136	229.756	53.70	—	46.30	—	—
CoMSIA	E + H + S	0.721	9	0.972	0.734	0.180	114.912	52.40	32.40	15.20	—	—
	E + S + D + A	0.705	9	0.947	0.743	0.247	59.278	58.80	—	14.90	14.00	12.20
	E + H + D + A	0.695	11	0.987	0.826	0.125	198.216	45.10	34.00	—	12.60	8.20
	E + H + S + A	0.74	9	0.984	0.827	0.135	206.773	44.80	29.70	13.60	—	11.90
	E + H + S + D	0.703	9	0.972	0.698	0.178	117.713	48.70	29.70	14.30	7.30	—
	E + H + S + D + A	0.734	9	0.985	0.891	0.132	215.609	41.40	27.60	12.30	11.20	7.50

$q^2$: cross-validated correlation coefficient; ONC: optimal number of components; $R^2$: non-cross-validated correlation coefficient; $r_{\mathrm{pred}}^2$: predictive correlation coefficient; SEE: standard error of estimate; F: F-statistic values; E: electrostatic fields; H: hydrophobic fields; S: steric fields; D: hydrogen-bond donor fields; A: hydrogen-bond acceptor fields.