Automated Inference of Chemical Discriminants of Biological Activity

Ligand-based virtual screening has become a standard technique for the efficient discovery of bioactive small molecules. Following assays to determine the activity of compounds selected by virtual screening, or other approaches in which dozens to thousands of molecules have been tested, machine lear...

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Bibliographic Details
Published in:Methods in molecular biology (Clifton, N.J.), Vol. 1762 (2018), p. 307-338
Main Author: Raschka, Sebastian
Other Involved Persons: Scott, Anne M ; Huertas, Mar ; Li, Weiming ; Kuhn, Leslie A
Format: electronic Article
Item Description:Date Completed 22.01.2019
Date Revised 22.01.2019
published: Print
Citation Status MEDLINE
Copyright: From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
Physical Description:Online-Ressource
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