Table 5.

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

	Training Set Metrics			Test Set Metrics
#	Overlap	Accuracy	p	Hits	TP	FP	Hit rate	Recovery %	Negative Accuracy
1	2.0221	0.6667	−0.1232	246	71	175	22.4	29.3	49.4
2	1.9688	0.6667	−0.1232	231	63	168	21.4	26.1	51.4
3	1.9603	0.6667	−0.1232	340	95	245	21.8	48.5	29.2
4	1.9518	0.5	0	273	70	203	20.4	32.4	41.3
5	1.9502	0.6667	−0.1232	250	61	189	19.6	28.0	45.4
6	1.9481	0.6667	−0.1232	264	65	199	19.8	30.7	42.5
7	1.9424	0.5	0	256	67	189	20.7	29.9	45.4
8	1.9321	0.6667	−0.1232	288	79	209	21.5	36.6	39.6
9	1.9294	0.6667	−0.1232	300	88	212	22.7	39.6	38.7
10	1.9288	0.5	0	263	72	191	21.5	31.7	44.8
31	1.8731	1	−0.9523	98	29	69	22.8	9.5	80.1