MMP-Cliffs: Systematic Identification of Activity Cliffs on the Basis of Matched Molecular Pairs-Reference-Cited by-同舟云学术

MMP-Cliffs: Systematic Identification of Activity Cliffs on the Basis of Matched Molecular Pairs

Published:2012-04-17 Issue:5 Volume:52 Page:1138-1145
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Hu Xiaoying¹²,Hu Ye¹,Vogt Martin¹,Stumpfe Dagmar¹,Bajorath Jürgen¹

Affiliation:

1. Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstr. 2, D-53113 Bonn, Germany.

2. State Key Laboratory of Chemical Resource Engineering, Department of Pharmaceutical Engineering, P.O. Box 53, Beijing University of Chemical Technology, 15 BeiSanHuan East Road, Beijing 100029, People’s Republic of China

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/ci3001138

Reference19 articles.

1. On Outliers and Activity CliffsWhy QSAR Often Disappoints

2. Exploring Activity Cliffs in Medicinal Chemistry

3. Activity Landscape Representations for Structure−Activity Relationship Analysis

4. Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs

5. Navigating structure–activity landscapes

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