Structure−Activity Relationship Anatomy by Network-like Similarity Graphs and Local Structure−Activity Relationship Indices-Reference-Cited by-同舟云学术

Structure−Activity Relationship Anatomy by Network-like Similarity Graphs and Local Structure−Activity Relationship Indices

Published:2008-09-18 Issue:19 Volume:51 Page:6075-6084
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Wawer Mathias¹,Peltason Lisa¹,Weskamp Nils¹,Teckentrup Andreas¹,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 Department of Lead Discovery, Boehringer Ingelheim Pharma GmbH & Co. KG, D-88397 Biberach/Riss, Germany

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/jm800867g

Reference24 articles.

1. On Outliers and Activity CliffsWhy QSAR Often Disappoints

3. Shanmugasundaram, V.; Maggiora, G. M.Characterizing Property and Activity Landscapes Using an Information-Theoretic Approach. Presented at the 222nd American Chemical Society National Meeting, Division of Chemical Information,2001; Abstract No. 77.

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