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Table 3 Virtual screening results of the six inactive molecules and abemaciclib

From: Chemical space exploration based on recurrent neural networks: applications in discovering kinase inhibitors

Molecules Pharmacophore model for Pim1 Molecular docking model for CDK4 -PMF
Abemaciclib 95.92
ChEMBL1803075 85.1
ChEMBL2443138 113.57
ChEMBL1802357 105.94
ChEMBL497949 91.07
ChEMBL1802355 93.5
ChEMBL3985000 85.91