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Updated: Jan 27, 2026

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Second-generation activity cliffs identified on the basis of target set-dependent potency difference criteria

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-53115 Bonn, Germany.

Future Medicinal Chemistry
|March 20, 2019
PubMed
Abstract

Keywords:
activity cliffsmolecular similaritypotency differencespotency value distributionsstructure–activity relationshipstarget set-dependent activity cliff definition

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