Machine learning in computational docking

Published 2015 View Full Article

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Title
Machine learning in computational docking
Authors
Keywords
Machine learning, Random forest, Support vector machine, Drug discovery, Computational docking, Scoring function, Virtual screening, Complex binding affinity, Ligands ranking accuracy, Force field interaction, Pharmacophore fingerprint
Journal
ARTIFICIAL INTELLIGENCE IN MEDICINE
Volume 63, Issue 3, Pages 135-152
Publisher
Elsevier BV
Online
2015-02-17
DOI
10.1016/j.artmed.2015.02.002

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