TABLE 5

3D-QSAR modeling statistics for hCNT3

	q²	Press	r²	s	No.^a	% Steric	% Electrostatic	Outliers^b
CoMFA	0.63	17.6	0.86	10.76	2	28	72	1
CoMSIA	0.62	18.0	0.80	13.01	3	0	100^c	1

q², cross-validated correlation coefficient; r², traditional (non-cross-validated) correlation coefficient.
↵ a Number of components used for non-cross-validated analyses.
↵ b 6-Azauridine was identified as an outlier and not included in the analysis.
↵ c H-bond acceptor field.