Table 3. Comparison between QSAR Models for the ACE Data Set^a.

descriptors		model	variables/LVs	Rtraining2	RSMEtraining	qloo2	Rtest2	refs
1	z scale	PLS	2	0.770	NR	NR	NR	Hellberg et al.22
2	GRID PP	PLS	1	0.744	NR	NR	NR	Cocchi and Johansson23
3	ISA-ECI	PLS	2	0.700	NR	NR	NR	Collantes and Dunn24
4	MS-WHIM (extended)	PLS	2	0.708	NR	0.637	NR	Zaliani and Gancia25
5	MS-WHIM (rotameric)	PLS	6	0.657	NR	0.541	NR	Zaliani and Gancia25
6	VHSE	PLS	1	0.770	0.48	0.745	0.688	Mei et al.27
7	T scale	PLS	2	0.845	0.39	0.786	0.798	Tian et al.28
8	VSW	PLS	2	0.868	0.37	0.784	0.871	Tong et al.26
9	ATS–QTMS	PLS	3	0.868	0.36	0.812	0.702	Yousefinejad et al.29
10	NDV	MLR	3	0.855	0.245	0.831	0.861	this work

^aNR, not reported.