From: QSAR analysis of VEGFR-2 inhibitors based on machine learning, Topomer CoMFA and molecule docking
NO. | pIC50 | NO. | pIC50 | NO. | pIC50 | |||
---|---|---|---|---|---|---|---|---|
Actual | Predict | Actual | Predict | Actual | Predict | |||
1 | 6.30 | 6.31 | 22 | 6.98 | 7.05 | 43 | 6.41 | 5.88 |
2 | 6.00 | 6.14 | 23 | 6.94 | 6.24 | 44 | 6.4 | 6.60 |
3 | 6.41 | 6.39 | 24 | 6.93 | 6.41 | 45 | 6.38 | 7.03 |
4 | 6.72 | 6.72 | 25 | 6.92 | 7.25 | 46 | 6.3 | 6.11 |
5 | 6.77 | 6.98 | 26 | 6.91 | 6.85 | 47 | 6.3 | 7.49 |
6 | 6.87 | 6.74 | 27 | 6.89 | 6.13 | 48 | 6.29 | 7.48 |
7 | 6.6 | 6.82 | 28 | 6.87 | 5.85 | 49 | 6.25 | 6.64 |
8 | 6.58 | 6.81 | 29 | 6.84 | 6.87 | 50 | 6.23 | 6.24 |
9 | 6.52 | 6.37 | 30 | 6.77 | 6.03 | 51 | 6.21 | 6.63 |
10 | 7.37 | 7.40 | 31 | 6.74 | 7.22 | 52 | 6.15 | 6.27 |
11 | 7.12 | 6.89 | 32 | 6.73 | 6.81 | 53 | 6.15 | 7.37 |
12 | 7.08 | 6.78 | 33 | 6.72 | 7.63 | 54 | 6.13 | 6.52 |
13 | 6.94 | 7.15 | 34 | 6.7 | 6.22 | 55 | 6.12 | 6.56 |
14 | 6.25 | 6.45 | 35 | 6.67 | 7.51 | 56 | 6.00 | 6.16 |
15 | 6.30 | 6.25 | 36 | 6.63 | 7.48 | 57 | 6.00 | 6.08 |
16 | 6.93 | 6.70 | 37 | 6.60 | 7.02 | 58 | 5.98 | 6.981 |
17 | 7.28 | 7.31 | 38 | 6.58 | 7.28 | 59 | 5.98 | 6.77 |
18 | 7.62 | 7.37 | 39 | 6.56 | 6.68 | 60 | 5.94 | 6.11 |
19 | 7.03 | 7.12 | 40 | 6.56 | 6.37 | 61 | 5.92 | 5.99 |
20 | 7.38 | 7.41 | 41 | 6.52 | 7.37 | 62 | 5.87 | 6.88 |
21 | 5.92 | 5.81 | 42 | 6.46 | 5.93 | 63 | 5.8 | 6.58 |