Table 4 The results of molecular docking of ten compounds
From: QSAR analysis of VEGFR-2 inhibitors based on machine learning, Topomer CoMFA and molecule docking
NO | pIC50 | Total score(Kcal/mol) |
|---|---|---|
1 | 7.96 | 131.28 |
2 | 7.62 | 116.68 |
3 | 7.49 | 118.74 |
4 | 7.48 | 105.96 |
5 | 7.41 | 102.60 |
59 | 5.68 | 64.31 |
60 | 5.64 | 55.72 |
61 | 5.92 | 53.55 |
62 | 5.87 | 75.27 |
63 | 5.8 | 78.34 |