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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
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Journal of Cheminformatics

ISSN: 1758-2946

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