Table 8.

Performance of the 10 initially best-ranked and subsequent most accurate pharmacophore models from training set C.

	Training Set Metrics			Test Set Metrics
#	Overlap	Accuracy	p	Hits	TP	FP	Hit rate	Recovery %	Negative Accuracy
1	2.6127	0.5	0	289	78	211	21.3	36.6	39.0
2	2.6025	0.5	0	321	82	239	20.3	43.4	30.9
3	2.5972	0.625	−0.1154	173	60	113	25.8	20.5	67.3
4	2.5426	0.5	0	285	80	205	21.9	36.2	40.8
5	2.5225	0.625	−0.1154	207	68	139	24.7	24.7	59.8
6	2.5216	0.625	−0.1154	271	75	196	21.7	33.3	43.4
7	2.5173	0.625	−0.1154	220	65	155	22.8	25.4	55.2
8	2.5037	0.5	0	237	61	176	22.4	26.4	49.1
9	2.5031	0.5	0	367	106	261	22.4	24.7	24.6
10	2.4078	0.625	−0.1154	219	62	157	22.0	27.0	54.6
42	2.2121	0.75	−0.3507	116	32	84	21.6	27.0	90.8