Table 6

Competitive inhibitors of CYP2C9 used in 3D-QSAR model of Jones et al (1996)

Compound Jones et al (1996)	Exp. value	External prediction (our model)	S.D. (log units)
	μM
1	7	12	0.16
2	4	19	0.49
3	20	19	0.04
4	12	21	0.25
5	10	7	0.03
6	7	10	0.26
11	1	9	0.66
12	14	19	0.10
13	37	19	0.21
14	10	9	0.02
15	11	11	0.01
16	29	20	0.12
17	21	8	0.31
18	13	11	0.06
19	17	10	0.18
20	14	20	0.11
21	8	12	0.12
22	10	14	0.11
23	70	15	0.47
24	11	60	0.52
25	45	15	0.34
26	15	8	0.20
27	50	4	0.79
28	2	7	0.39

The experimental K _i values, K _ivalues obtained from external prediction in our model, and the standard deviation of these predictions are indicated.