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Title: BindingDB activity classes

Type Dataset Garnett, Roman , Gärtner, Thomas , Vogt, Martin, Bajorath, Jürgen (2015): BindingDB activity classes. Zenodo. Dataset. https://zenodo.org/record/14883

Authors: Garnett, Roman (Institute of Computer Science III, Rheinische Friedrich-Wilhelms-Universität Bonn, Römerstr. 164, D-53117 Bonn, Germany) ; Gärtner, Thomas (Fraunhofer Institute for Intelligent Analysis and Information Systems IAIS, Schloss Birlinghoven, D-53754 Sankt Augustin, Germany; Institute of Computer Science III, Rheinische Friedrich-Wilhelms-Universität Bonn, Römerstr. 164, D-53117 Bonn, Germany) ; Vogt, Martin (Department of Life Science Informatics, B-IT, LIMES, Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität Bonn, Dahlmannstr. 2, D-53113 Bonn, Germany.) ; Bajorath, Jürgen (Department of Life Science Informatics, B-IT, LIMES, Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität Bonn, Dahlmannstr. 2, D-53113 Bonn, Germany.) ;

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Summary

A collection of 120 activity classes extracted from BindingDB and their ECFP4, GpiDAPH3, and MACCS fingerprint representations are provided.

More information

  • DOI: 10.5281/zenodo.14883

Dates

  • Publication date: 2015
  • Issued: February 06, 2015

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electronic resource

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