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Increasing the public activity cliff knowledge base with new categories of activity cliffs

Huabin Hu1, Jürgen Bajorath1

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

Future Science OA
|June 11, 2020
PubMed
Abstract

Keywords:
active compoundsactivity cliffscomputational analysismedicinal chemistryopen access dataprivileged substructuresstructural isomerssubstitution sites

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