From Activity Cliffs to Activity Ridges: Informative Data Structures for SAR Analysis-Reference-Cited by-同舟云学术

From Activity Cliffs to Activity Ridges: Informative Data Structures for SAR Analysis

Published:2011-08-04 Issue:8 Volume:51 Page:1848-1856
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Vogt Martin¹,Huang Yun¹,Bajorath Jürgen¹

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

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci2002473

Reference15 articles.

1. Systematic computational analysis of structure–activity relationships: concepts, challenges and recent advances

2. Navigating structure–activity landscapes

3. Activity Landscape Representations for Structure−Activity Relationship Analysis

4. On Outliers and Activity CliffsWhy QSAR Often Disappoints

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