Representation and identification of activity cliffs-Reference-Cited by-同舟云学术

Representation and identification of activity cliffs

Published:2017-07-12 Issue:9 Volume:12 Page:879-883
ISSN:1746-0441
Container-title:Expert Opinion on Drug Discovery
language:en
Short-container-title:Expert Opinion on Drug Discovery

Author:

Bajorath Jürgen¹

Affiliation:

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

Publisher

Informa UK Limited

Subject

Drug Discovery

Link

https://www.tandfonline.com/doi/pdf/10.1080/17460441.2017.1353494

Reference17 articles.

1. On Outliers and Activity CliffsWhy QSAR Often Disappoints

2. Exploring Activity Cliffs in Medicinal Chemistry

3. Recent Progress in Understanding Activity Cliffs and Their Utility in Medicinal Chemistry

4. Structure Modification in Chemical Databases

5. Computationally Efficient Algorithm to Identify Matched Molecular Pairs (MMPs) in Large Data Sets

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