Profile-QSAR 2.0: Kinase Virtual Screening Accuracy Comparable to Four-Concentration IC50s for Realistically Novel Compounds
Author:
Affiliation:
1. Novartis Institutes for Biomedical Research, 5300 Chiron Way, Emeryville, California 94608-2916, 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.7b00166
Reference26 articles.
1. Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate Prediction of Compound–Kinase Activities: A Way toward Selective Promiscuity by Design?
2. Selectivity Data: Assessment, Predictions, Concordance, and Implications
3. Profiling Prediction of Kinase Inhibitors: Toward the Virtual Assay
4. Kinome-wide Activity Modeling from Diverse Public High-Quality Data Sets
5. Predictive proteochemometric models for kinases derived from 3D protein field-based descriptors
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