Table 6.

Predictions of quantitative model training set

Index	pIC50 exp	pIC50 pred	Index	pIC50 exp	pIC50 pred
16	7.82	7.48	46	8.29	7.76
17	7.57	7.25	50	5.41	6.38
23	6.09	5.98	51	6.23	6.46
29	7.70	7.53	56	6.07	6.19
31	8.33	7.46	57	6.00	6.23
33	8.00	7.71	58	6.15	6.47
36	4.51	6.78	60	8.40	8.25
39	5.21	6.10	73	5.59	6.65
40	8.43	8.10	74	8.70	8.42
41	8.42	8.34	75	6.36	6.22