Table 1. Comparison of the prediction performance of CP model and the single pharmacophore hypotheses.

Model	Calibration set				Test set
	SE	SP	ACC	BACC	SE	SP	ACC	BACC
HHR1	0.24	0.88	0.82	0.56	0.29	0.85	0.80	0.57
DRR	0.26	0.92	0.85	0.59	0.26	0.91	0.85	0.59
HHR2	0.19	0.96	0.89	0.58	0.17	0.95	0.87	0.56
AAAP	0.26	0.94	0.88	0.60	0.17	0.94	0.87	0.56
CP model	0.74	0.76	0.76	0.75	0.57	0.74	0.73	0.66