Guha Rajarshi, Wiggins Gary D, Wild David J, Baik Mu-Hyun, Pierce And Marlon E, Fox Geoffrey C
Indiana University School of Informatics, Bloomington, IN 47405, USA.
In Silico Biol. 2011;11(1-2):41-60. doi: 10.3233/CI-2008-0015.
Some of the latest trends in cheminformatics, computation, and the world wide web are reviewed with predictions of how these are likely to impact the field of cheminformatics in the next five years. The vision and some of the work of the Chemical Informatics and Cyberinfrastructure Collaboratory at Indiana University are described, which we base around the core concepts of e-Science and cyberinfrastructure that have proven successful in other fields. Our chemical informatics cyberinfrastructure is realized by building a flexible, generic infrastructure for cheminformatics tools and databases, exporting "best of breed" methods as easily-accessible web APIs for cheminformaticians, scientists, and researchers in other disciplines, and hosting a unique chemical informatics education program aimed at scientists and cheminformatics practitioners in academia and industry.
本文回顾了化学信息学、计算科学和万维网领域的一些最新趋势，并预测了这些趋势在未来五年可能对化学信息学领域产生的影响。文中还介绍了印第安纳大学化学信息学与网络基础设施合作实验室的愿景和部分工作，我们的工作基于电子科学和网络基础设施的核心概念，这些概念在其他领域已被证明是成功的。我们的化学信息学网络基础设施通过以下方式实现：为化学信息学工具和数据库构建灵活、通用的基础设施；将“最佳实践”方法作为易于访问的网络应用程序编程接口（API）导出，供化学信息学家、科学家及其他学科的研究人员使用；以及开展一项针对学术界和工业界的科学家及化学信息学从业者的独特化学信息学教育计划。
