"Learning from Docked Ligands: Ligand-Based Features Rescue Structure-Based ..."

Fergus Boyles, Charlotte M. Deane, Garrett M. Morris (2022)

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DOI: 10.1021/ACS.JCIM.1C00096

access: closed

type: Journal Article

metadata version: 2023-01-15

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Fergus Boyles, Charlotte M. Deane, Garrett M. Morris:
Learning from Docked Ligands: Ligand-Based Features Rescue Structure-Based Scoring Functions When Trained on Docked Poses. J. Chem. Inf. Model. 62(22): 5329-5341 (2022)

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