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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