Table 5.

Predictions on test set of quantitative pharmacophore model

Index	pIC50 exp	pIC50 pred	Index	pIC50 exp	pIC50 pred
0	5.64	7.13	35	8.57	8.10
1	6.6	6.66	37	7.74	7.02
2	6.07	6.75	38	6	6.78
3	6.43	7.24	42	8.17	7.86
4	6.92	6.94	43	6.3	6.22
5	6.52	6.77	44	5.47	7.71
6	6.56	6.60	45	7.17	6.13
7	7.16	8.11	47	6.36	6.08
8	7.77	7.59	48	8.44	7.06
9	7.72	8.14	49	8.15	8.11
10	6	7.36	52	6.85	8.34
11	5.72	7.70	53	8.23	8.11
12	8.09	6.75	54	5.47	6.28
13	8.21	8.04	55	8.37	8.02
14	7.44	6.33	59	7.82	7.63
15	7.48	6.75	61	8.21	7.70
18	8.39	8.34	62	5.57	6.24
19	6.82	7.01	63	8.5	8.28
20	8	8.11	64	8.21	8.34
21	6.17	8.04	65	5.89	7.18
22	7.36	6.75	66	5.6	6.06
24	8.3	8.08	67	8.37	8.34
25	8.55	7.51	68	6	6.16
26	8.06	6.20	69	6.38	6.55
27	8.28	8.13	70	7.24	6.88
28	5.92	6.22	71	7.85	8.22
30	8.26	8.04	72	8.34	8.28
32	8.17	8.04	76	5.14	6.65
34	5.28	6.16