Table 1. Statistical Parameters of Pharmacophore Hypotheses Built with CCR5 Training Set Compounds. Parameters of PH-1 and PH-9 are shown in bold.

pharmacophore hypothesis	overlap	featuresb	TH	AH	TPR	FPR	EF
PH1	12.30	2Hyd	600	59	0.98	0.24	3.73
		1Aro
		1Cat
PH2	12.27	2Hyd	901	59	0.98	0.36	2.56
		1Aro
		1Don
PH3	11.49	2Hyd	866	59	0.98	0.35	2.66
		1Aro
		1Cat
PH4	11.49	2Hyd	1138	59	0.98	0.46	2.05
		1Aro
		1Don
PH5	11.45	2Hyd	457	53	0.88	0.18	4.33
		1Acc
		1Cat
PH6	11.44	2Hyd	912	55	0.91	0.37	2.37
		1Acc
		1Don
PH7	10.76	2Hyd	1916	60	1.00	0.78	1.26
		2Acc
PH8	10.46	2Hyd	1440	59	0.98	0.59	1.64
		2Acc
PH9	12.30	2Hyd	406	59	0.98	0.16	5.29
		1Aro
		1Cat
		LS

^aTotal number of hits (TH), number of active hits (AH), true-positive rate (TPR), false-positive rate (FPR), enrichment factor (EF) of pharmacophore mapping.

^bHydrophobic (Hyd), aromatic (Aro), cationic (Cat), H-bond donor (Don), H-bond acceptor (Acc), ligand shape (LS).