Web service infrastructure for chemoinformatics

被引:37
作者
Dong, Xiao [1 ]
Gilbert, Kevin E. [1 ]
Guha, Rajarshi [1 ]
Heiland, Randy [1 ]
Kim, Jungkee [1 ]
Pierce, Marlon E. [1 ]
Fox, Geoffrey C. [1 ]
Wild, David J. [1 ]
机构
[1] Indiana Univ, Sch Informat, Community Grids Lab, Bloomington, IN 47408 USA
关键词
D O I
10.1021/ci6004349
中图分类号
R914 [药物化学];
学科分类号
100701 ;
摘要
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.
引用
收藏
页码:1303 / 1307
页数:5
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