Table 6.

VEGFR-2: Molecular Docking of Top 10 compounds obtained from Machine Learning.

Compound ID	Ligand	MolDock score (KJ/mol)	Re-rank score (KJ/mol)	MW
[01] 11152946	11152946	− 115.968	− 112.61	371.856
[00] 125367	125367	− 117.208	− 101.185	325.400
[02] 9930932	9930932	− 113.044	− 101.011	401.900
[00] 5326425	5326425	− 117.093	− 100.301	403.900
[00] 60791	60791	− 117.015	− 99.101	401.900
[04] 45482966	45482966	− 110.481	− 99.100	381.500
[00] 45482954	45482954	− 116.648	− 98.562	410.500
[02] 44385040	44385040	− 111.353	− 96.231	387.900
[01] 44343813	44343813	− 115.426	− 96.117	401.900
[00] 14942882	14942882	− 113.483	− 95.917	401.900
[01] 163806427	163806427	− 110.475	− 93.564	483.800
[00] 163508288	163508288	− 104.696	− 81.739	508.400