Table 6

Summary of permuted Catalyst hypotheses

CYP2C9 Catalyst Model	Permuted Hypothesis 1		Permuted Hypothesis 2
CYP2C9 Catalyst Model	Pharmacophore Features	Hypothesis–Null Energy Cost	Pharmacophore Fit	Pharmacophore Features	Hypothesis–Null Energy Cost	Pharmacophore Fit
			r			r
1^6-a	1 HBA, 1 HBD, 2 H	35.9–33.9	0.81	1 HBA, 1 HBD, 2 H	42.8–33.9	0.69
2^6-b	1 HBA, 1 HBD, 2 H	130.3–130.5	0.58	1 HBA, 3H	130.4–130.5	0.66
3^6-c	2 HBA	55.4–47.9	0.29	2 HBA	55–47.9	0.20

H = hydrophobe; HBA = hydrogen bond acceptor; HBD = hydrogen bond donor.

↵6-a Data used for model construction from Table 1.
↵6-b Data used for model construction from Jones et al., 1996b.
↵6-c Data used for model construction from Morsman et al., 1995.