Table 1.

Statistical parameters and Field combinations for CoMFA and CoMSIA ^a.

Model	q 2	N	SEP	SEE	r 2 ncv	F	r 2	Field Contributions
								S	E	H	D	A
CoMFA-SE	0.537	6	0.544	0.067	0.993	525.4	0.865	0.412	0.588
CoMSIA-SE	0.566	7	0.539	0.101	0.985	193.0	0.002	0.299	0.701
CoMSIA-SEHA	0.674	6	0.456	0.119	0.978	161.3	0.790	0.174	0.335	0.215		0.276
CoMSIA-SEA	0.651	5	0.462	0.151	0.963	118.7	0.760	0.245	0.395			0.360
CoMSIA-SEDA	0.601	7	0.517	0.103	0.984	185.5	0.816	0.229	0.324		0.190	0.257
CoMSIA-SD	0.551	6	0.536	0.217	0.926	46.2	0.347	0.470			0.530
CoMSIA-SHD	0.561	9	0.570	0.095	0.988	172.1	0.237	0.312		0.398	0.289
CoMSIA-EHA	0.598	6	0.507	0.136	0.971	123.0	0.765		0.427	0.299		0.274
CoMSIA-EHDA	0.508	7	0.574	0.111	0.982	160.3	0.716		0.375	0.261	0.156	0.208
CoMSIA-ALL	0.669	6	0.460	0.101	0.984	225.9	0.918	0.165	0.279	0.181	0.159	0.215

^aq² = the square of the leave-one-out (LOO) cross-validation (CV) coefficient; N = the optimum number of components; SEP = standard error of prediction; SEE is the standard error of estimation of non-CV analysis; r²_ncv is the square of the non CV coefficient; F is the F-test value; r² is the predictive r² for test set compounds; S, E, H, D and A are the steric, electrostatic, hydrophobic, hydrogen-bond donor, and hydrogen-bond acceptor contributions respectively.