表2.

不同片段特性的全息定量构效关系(HQSAR)模型统计参数

Fragment distinction	DB-210					HP-Innowax
	$q_{\mathrm{cv}}^2$	SEE	HL	PCs				SEE	HL	PCs
B	0.801	37.357	257	4		0.879		27.872	199	4
DA	0.913	21.6	97	5		0.909		24.377	151	6
A+DA	0.852	26.059	353	5		0.893		33.318	353	3
B+DA	0.804	34.375	257	4		0.859		47.967	151	2
A+C+DA	0.856	27.91	97	5		0.862		26.596	97	5
A+B+H+DA	0.821	24.813	353	5		0.883		26.959	257	4

$q_{\mathrm{cv}}^2$: squared correlation coefficient of cross validation; SEE: standard error of estimate; HL: hologram lengths; PCs: principal components.