Three Useful Dimensions for Domain Applicability in QSAR Models Using Random Forest
Author:
Affiliation:
1. Chemistry Modeling and Informatics, Merck Research Laboratories, 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/ci300004n
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1. The One-Class Classification Approach to Data Description and to Models Applicability Domain
2. Predicting the Predictability: A Unified Approach to the Applicability Domain Problem of QSAR Models
3. A Stepwise Approach for Defining the Applicability Domain of SAR and QSAR Models
4. Assessment of Methods To Define the Applicability Domain of Structural Alert Models
5. Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs
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