Table 1.

Representative result of structure-based pharmacophore modeling

Pharm	Features	Selectivity	Act	Inact	TP	TN	FP	FN	Sn	Sp	Acc	GH
RLPharm1	DHHP	1.1148	25	25	10	25	0	15	0.40	1.00	0.70	0.16
RLPharm2	AADH	0.69736	25	25	16	3	22	9	0.64	0.12	0.38	0.41
RLPharm3	AADH	0.69736	25	25	16	3	22	9	0.64	0.12	0.38	0.41
RLPharm4	AHHP	0.47716	25	25	8	25	0	17	0.32	1.00	0.66	0.10
RLPharm5	AAHP	0.47716	25	25	14	25	0	11	0.56	1.00	0.78	0.31
RLPharm6	AHHP	0.47716	25	25	9	25	0	16	0.36	1.00	0.68	0.13
RLPharm7	DHH	0.33951	25	25	11	4	21	14	0.44	0.16	0.68	0.19
RLPharm8	DHP	0.33951	25	25	13	25	0	12	0.52	1.00	0.76	0.27
RLPharm9	ADP	0.33951	25	25	23	25	0	2	0.92	1.00	0.96	0.85
RLPharm10	DHP	0.33951	25	25	14	25	0	11	0.56	1.00	0.78	0.31