Structural Interpretation of Activity Cliffs Revealed by Systematic Analysis of Structure−Activity Relationships in Analog Series-Reference-Cited by-同舟云学术

Structural Interpretation of Activity Cliffs Revealed by Systematic Analysis of Structure−Activity Relationships in Analog Series

Published:2009-09-18 Issue:10 Volume:49 Page:2179-2189
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Sisay Mihiret T.¹,Peltason Lisa¹,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, and Pharmazeutisches Institut, Pharmazeutische Chemie I, Rheinische Friedrich-Wilhelms-Universität, An der Immenburg 4, D-53121 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/ci900243a

Reference13 articles.

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

2. On Outliers and Activity CliffsWhy QSAR Often Disappoints

3. Navigating structure–activity landscapes

4. SAR Index: Quantifying the Nature of Structure−Activity Relationships

5. Exploration of Structure−Activity Relationship Determinants in Analogue Series

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