Rationalizing the Formation of Activity Cliffs in Different Compound Data Sets

Huabin Hu1, Dagmar Stumpfe1, Jürgen Bajorath1

  • 1Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Endenicher Allee 19c, D-53115 Bonn, Germany.

ACS Omega
|August 29, 2019
PubMed

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