TABLE 8.

Summary of crossvalidation results

		BACC
		Substrates			Inhibitors
Classifiers	Descriptors	CYP2C9	CYP2D6	CYP3A4	CYP2C9	CYP2D6	CYP3A4
SB	Morgan + PhysChem	0.69	0.71	0.75	0.74	0.64	0.68
SB	Avalon + PhysChem	0.67	0.69	0.72	0.73	0.63	0.64
SB	Dragon_Normalized	0.68	0.69	0.76	0.72	0.62	0.67
DNN	Morgan + PhysChem	0.62	0.67	0.72	0.63	0.58	0.58
DNN	Avalon + PhysChem	0.64	0.66	0.68	0.63	0.59	0.58
DNN	Dragon_Normalized	0.66	0.68	0.72	0.63	0.57	0.59