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Article

Web Service Infrastructure for Chemoinformatics

Xiao Dong, Kevin E. Gilbert, Rajarshi Guha, Randy Heiland, Jungkee Kim, Marlon E. Pierce, Geoffrey C. Fox, and David J. Wild*

Indiana University School of Informatics, Community Grids Laboratory, and Chemical Informatics and Cyberinfrastructure Collaboratory, Indiana University, 901 East Tenth Street, Bloomington, Indiana 47408

J. Chem. Inf. Model., 2007, 47 (4), pp 1303–1307

DOI: 10.1021/ci6004349

Publication Date (Web): June 29, 2007

Corresponding author e-mail: djwild@indiana.edu.

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.

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Published In Issue July 23, 2007
Received October 10, 2006

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Web Service Infrastructure for Chemoinformatics

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SciFinder Links

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Recommend & Share

Related Content

Flexible Web Service Infrastructure for the Development and Deployment of Predictive Models

Better than Random? The Chemotype Enrichment Problem

Chemoinformatic Analysis of Combinatorial Libraries, Drugs, Natural Products, and Molecular Libraries Small Molecule Repository

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