Debunking the Idea that Ligand Efficiency Indices Are Superior to pIC50 as QSAR Activities
Author:
Affiliation:
1. Modeling and Informatics Department, Merck & Co. Inc., Rahway, New Jersey 07065, United States
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/acs.jcim.6b00431
Reference19 articles.
1. Ligand efficiency: a useful metric for lead selection
2. Ligand efficiency indices as guideposts for drug discovery
3. Setting expectations in molecular optimizations: Strengths and limitations of commonly used composite parameters
4. Ligand efficiency metrics considered harmful
5. Training Based on Ligand Efficiency Improves Prediction of Bioactivities of Ligands and Drug Target Proteins in a Machine Learning Approach
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