Table 7. Comparison between QSAR Models for the HLA Data Set.

descriptors		model	variables/LVs	Rtraining2	RSMEtraining	qloo2	Rtest2	refs
1	QTMS–ADFQ	GA–PLS	3	0.648	0.59	0.561	0.50	Hemmateenejad et al.20
2	ATS/QTMS	GA–PLS	6	0.782	0.47	0.682	0.50	Yousefinejad et al.29
3	additive	PLS	3	0.85	NR	0.54	0.64	Doytchinova et al.33
4	global	GA–MLR		0.43	0.75a	NR	0.42	Doytchinova et al.33
5	z scales	GA–MLR		0.67	0.59a	NR	0.50	Doytchinova et al.33
6	NDV	MLR	9	0.540	0.664	0.407	0.535	this work
7	NDV	MLR (after removing outliers)	9	0.702	0.452	0.632	0.712	this work
8	NDV	MLR (after removing outliers and omitting nonsignificant variables)	5	0.690	0.461	0.642	0.713	this work

^aStandard error of estimate (SEE).