Exploring Activity Cliffs in Medicinal Chemistry

Author:

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, Dahlmannstrasse 2, D-53113 Bonn, Germany

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Reference40 articles.

1. Navigating structure–activity landscapes

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

3. Bajorath, J.; Maggiora, G.; Lajiness, M., Organizers. The Emerging Concepts of Activity Landscapes and Activity Cliffs and Their Role in Drug Research. Section A of the Divisions of Chemical Information and Computers in Chemistry, 240th National Meeting of the American Chemical Society, Boston, MA, August 22–26, 2010.

4. Activity Landscape Representations for Structure−Activity Relationship Analysis

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