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Docking-generated multiple ligand poses for bootstrapping bioactivity classifying Machine Learning: Repurposing

Ma'mon M Hatmal1, Omar Abuyaman1, Mutasem Taha2

  • 1Department of Medical Laboratory Sciences, Faculty of Applied Medical Sciences, The Hashemite University, PO Box 330127, Zarqa 13133, Jordan.

Computational and Structural Biotechnology Journal
|August 24, 2021
PubMed

Keywords:
BootstrappingCovalent dockingDockingLigand-receptor contact fingerprintsMachine learningScoring

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