. 2006 Mar 20;6:5. doi: 10.1186/1472-6807-6-5

Table 2.

QSAR Results for GFA Total + Electrostatic + VDW model based on 10, 20 25, 30 descriptors.

Model	QSAR Analysis (Cerius)	Equation Length Terms + Constant	STATISTICAL PARAMETERS

			Training Set				Test Set

			LOF	r²	(CV) r²	PRESS	r	r²	PRESS
Total + Electrostatic + VDW	GFA	10	0.321	0.670	0.562	24.741	0.683	0.467	38.545
		15	0.371	0.696	0.471	29.893	0.752	0.565	27.669
		20	0.288	0.818	0.643	20.164	0.465	0.217	46.796
		25	0.357	0.832	-345.981	19619.436	0.459	0.210	47.097
		30	0.389	0.871	0.688	17.652	0.380	0.144	56.410