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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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RDKit toolkit

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2 results in Keywords: RDKit toolkit

Theoretical and Computational Chemistry

State of the Art Iterative Docking with Logistic Regression and Morgan Fingerprints

Version 1 posted 02 April 2021

1,577

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4

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Theoretical and Computational Chemistry

Learning from Docked Ligands: Ligand-Based Features Rescue Structure-Based Scoring Functions When Trained On Docked Poses

Fergus Boyles, Charlotte M Deane, Garrett Morris

Version 1 posted 27 January 2021

767

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