Predicting the Predictability: A Unified Approach to the Applicability Domain Problem of QSAR Models
Author:
Affiliation:
1. Laboratoire d’InfoChime, UMR 7177 Université de Strasbourg − CNRS Institut de Chimie, 4, rue Blaise Pascal, 67000 Strasbourg, France
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/ci9000579
Reference38 articles.
1. Critical Assessment of QSAR Models of Environmental Toxicity against Tetrahymena pyriformis: Focusing on Applicability Domain and Overfitting by Variable Selection
2. A Measure of Domain of Applicability for QSAR Modelling Based on IntelligentK-Means Clustering
3. Fuzzy Tricentric Pharmacophore Fingerprints. 2. Application of Topological Fuzzy Pharmacophore Triplets in Quantitative Structure−Activity Relationships
4. Current Status of Methods for Defining the Applicability Domain of (Quantitative) Structure-Activity Relationships
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