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Web service infrastructure for chemoinformatics
Authors:Dong Xiao  Gilbert Kevin E  Guha Rajarshi  Heiland Randy  Kim Jungkee  Pierce Marlon E  Fox Geoffrey C  Wild David J
Institution: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.
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