. 2018 Dec 5;8(71):40529–40543. doi: 10.1039/c8ra06475j

PLS statistical results of the CoMFA and CoMSIA models.

	Model^a	q _loo ²	N	SEE	r _ncv ²	F	Field contribution (%)
	Model^a	q _loo ²	N	SEE	r _ncv ²	F	S	E	H	D	A
CoMFA	S + E	0.665	10	0.084	0.989	221.653	0.396	0.604
	S + E + H + D + A	0.727	12	0.093	0.988	150.555	0.075	0.254	0.211	0.195	0.266
	S + E	0.613	15	0.110	0.985	85.333	0.229	0.771
	E + D	0.525	14	0.168	0.964	38.423		0.700		0.300
	S + E + D	0.679	12	0.119	0.980	90.300	0.142	0.547		0.311
	S + E + A	0.602	11	0.146	0.969	64.793	0.128	0.473			0.399
	S + H + D	0.543	8	0.194	0.938	48.987	0.192		0.383	0.424
	S + H + A	0.651	8	0.163	0.956	70.442	0.154		0.376		0.471
	S + D + A	0.607	15	0.112	0.985	81.432	0.205			0.355	0.440
CoMSIA	E + H + D	0.622	14	0.081	0.992	169.485		0.407	0.309	0.284
	E + H + A	0.601	8	0.184	0.944	54.568		0.359	0.264		0.377
	E + D + A	0.526	12	0.152	0.968	54.940		0.482		0.188	0.330
	H + D + A	0.698	11	0.113	0.981	109.043			0.361	0.274	0.365
	S + E + H + D	0.686	13	0.074	0.993	221.377	0.105	0.379	0.264	0.253
	S + E + H + A	0.640	8	0.169	0.953	65.648	0.099	0.319	0.236		0.346
	S + E + D + A	0.696	13	0.115	0.982	90.245	0.110	0.387		0.205	0.299
	S + H + D + A	0.748	10	0.116	0.979	114.403	0.091		0.310	0.249	0.349
	S + E + D + A	0.670	12	0.106	0.984	113.716		0.279	0.232	0.211	0.278

S, E, H, D, and A mean steric, electrostatic, hydrophobic, hydrogen-bond donor, and hydrogen-bond acceptor fields, respectively.