Predicting the DPP-IV Inhibitory Activity pIC_𝟓𝟎 Based on Their Physicochemical Properties

Table 2

Experimental and predicted pIC₅₀ for the training and test sets.

No.	pIC50(exp)	pIC50(Pred)	pIC50(LOOCV)
1	7.00	7.11	7.17
2^T	7.20	7.30	—
3	7.35	7.36	7.33
4	7.33	7.23	7.16
5^T	7.01	7.00	—
6	7.14	7.04	6.92
7	7.14	7.03	6.84
8	6.71	7.01	7.14
9^T	6.64	6.80	—
10	7.06	7.13	7.14
11	6.91	7.01	7.28
12	6.62	6.73	6.89
13	6.60	6.70	6.78
14^T	6.85	6.73	—
15	6.67	6.70	6.70
16	6.60	6.70	6.70
17	6.94	6.86	6.86
18	6.74	6.79	6.79
19^T	6.52	6.73	—
20	8.70	8.27	8.18
21	8.30	8.34	8.34
22	7.46	7.39	7.39
23	7.40	7.50	7.43
24^T	8.22	8.24	—
25	8.15	8.25	8.57
26	8.30	8.24	8.25
27	8.05	8.13	8.14
28	8.22	8.11	8.05
29	8.15	8.05	7.90
30^T	8.00	7.78	—
31	7.66	7.77	8.11
32^T	8.15	7.80	—
33	7.82	7.93	8.17
34^T	7.77	7.54	—
35^T	7.51	7.46	—
36	8.10	8.00	7.85
37	7.72	7.82	8.00
38^T	7.43	7.09	—
39	7.96	7.93	7.93
40	8.10	8.17	8.18
41	7.51	7.40	7.30
42	7.92	7.89	7.89
43	7.51	7.47	7.47
44	7.92	7.93	7.93
45	7.80	7.70	7.55
46	7.60	7.76	7.84
47	7.85	7.75	7.26
48^T	7.89	7.98	—

Tindicates the test samples.