Web service infrastructure for chemoinformatics
Web service infrastructure for chemoinformatics
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DOI：
10.1021/ci6004349
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发表时间：
2007-07-01
影响因子：
5.6
通讯作者：
Wild, David J.
中科院分区：
文献类型：
--
作者：
Dong, Xiao;Gilbert, Kevin E.;Wild, David J.
药物发现科学家可获得的相关信息的大量增加意味着对组织和智能挖掘这些信息以供人类管理的工具和技术的强烈需求。在印第安纳大学，我们开发了一个化学信息学Web服务的基础设施，它简化了对这些信息的访问和可应用于这些信息的计算技术。在本文中，我们描述了这个基础架构，给出了一些使用它的例子，然后讨论了我们未来将其作为化学信息学应用开发平台的计划。
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.