Scanning Structure–Activity Relationships with Structure–Activity Similarity and Related Maps: From Consensus Activity Cliffs to Selectivity Switches
Author:
Affiliation:
1. Torrey Pines Institute for Molecular Studies, 11350 SW Village Parkway, Port St. Lucie, Florida 34987, 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/ci300362x
Reference63 articles.
1. On Outliers and Activity CliffsWhy QSAR Often Disappoints
2. Assessing How Well a Modeling Protocol Captures a Structure−Activity Landscape
3. Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs
4. Activity Landscape Representations for Structure−Activity Relationship Analysis
5. Navigating structure–activity landscapes
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