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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

(2)

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Working Paper

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Over 3 years

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Keywords

protein-ligand binding affinity prediction

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2 results in Keywords: protein-ligand binding affinity prediction

Theoretical and Computational Chemistry

An Analysis of Proteochemometric and Conformal Prediction Machine Learning Protein-Ligand Binding Affinity Models

conor parks, Zied Gaieb, Rommie Amaro

Version 1 posted 29 January 2020

695

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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

752

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