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J Chem Inf Model. 2007 Jul-Aug;47(4):1303-7. Epub 2007 Jun 29.

Web service infrastructure for chemoinformatics.

Author information

1
Indiana University School of Informatics, Community Grids Laboratory, and Chemical Informatics and Cyberinfrastructure Collaboratory, Indiana University, Bloomington, Indiana 47408, USA.

Abstract

The vast increase of pertinent information available to drug discovery scientists means that there is a strong demand for tools and techniques for organizing and intelligently mining this information for manageable human consumption. At Indiana University, we have developed an infrastructure of chemoinformatics Web services that simplifies the access to this information and the computational techniques that can be applied to it. In this paper, we describe this infrastructure, give some examples of its use, and then discuss our plans to use it as a platform for chemoinformatics application development in the future.

PMID:
17602467
DOI:
10.1021/ci6004349
[Indexed for MEDLINE]

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