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Bioorg Med Chem. 2012 Sep 15;20(18):5317-23. doi: 10.1016/j.bmc.2012.03.030. Epub 2012 Mar 23.

Chemoinformatics: a view of the field and current trends in method development.

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1
Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstr. 2, D-53113 Bonn, Germany.

Abstract

The chemoinformatics field continues to evolve at the interface between computer science and chemistry. Chemical information and computational approaches in pharmaceutical research are major focal points of chemoinformatics. However, the boundaries of this discipline are rather fluid and the chemoinformatics spectrum is difficult to delineate. The field is in flux, which also provides opportunities for further developments. As a lead-in to the Chemoinformatics Symposium-in-Print, we present a brief view of this discipline (with a little anecdotal touch), highlight current trends in method development, and discuss a number of representative examples.

PMID:
22483841
DOI:
10.1016/j.bmc.2012.03.030
[Indexed for MEDLINE]
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