Local Structural Changes, Global Data Views: Graphical Substructure−Activity Relationship Trailing
Author:
Affiliation:
1. Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstrasse 2, D-53113 Bonn, Germany
Publisher
American Chemical Society (ACS)
Subject
Drug Discovery,Molecular Medicine
Link
https://pubs.acs.org/doi/pdf/10.1021/jm200026b
Reference17 articles.
1. Systematic computational analysis of structure–activity relationships: concepts, challenges and recent advances
2. Navigating structure–activity landscapes
3. SAR Maps: A New SAR Visualization Technique for Medicinal Chemists
4. Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs
5. Structure−Activity Relationship Anatomy by Network-like Similarity Graphs and Local Structure−Activity Relationship Indices
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