J. Chem. Inf. Model., 47 (4), 1303 -1307, 2007. 10.1021/ci6004349 S1549-9596(60)00434-8
Web Release Date: June 29, 2007

Copyright © 2007 American Chemical Society

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

Received October 10, 2006

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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