Training Based on Ligand Efficiency Improves Prediction of Bioactivities of Ligands and Drug Target Proteins in a Machine Learning Approach
Author:
Affiliation:
1. Drug Discovery Department, Research & Development Division, PharmaDesign, Inc., Hatchobori 2-19-8, Chuo-ku, Tokyo, 104-0032, Japan
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci400240u
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5. Computational Screening for Active Compounds Targeting Protein Sequences: Methodology and Experimental Validation
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