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Systematic identification of target set-dependent activity cliffs

Huabin Hu1, Dagmar Stumpfe1, Jürgen Bajorath1

  • 1Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology & Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Endenicher Allee 19c, D-53113 Bonn, Germany.

Future Science OA
|March 5, 2019
PubMed
Abstract

Keywords:
active and inactive compoundsactivity cliffsbiological screeningmatched molecular pairsmedicinal chemistryopen access datapotencysimilarity

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