通过网络基础设施和教育提高化学家化学信息学工具的可用性和可访问性。

Q2 Medicine

In Silico Biology Pub Date : 2011-01-01 DOI:10.3233/CI-2008-0015

Rajarshi Guha, Gary D Wiggins, David J Wild, Mu-Hyun Baik, Marlon E Pierce And, Geoffrey C Fox

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引用次数: 5

摘要

回顾了化学信息学、计算和万维网的一些最新趋势，并预测了这些趋势在未来五年内可能如何影响化学信息学领域。描述了印第安纳大学化学信息学和网络基础设施合作实验室的愿景和一些工作，我们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是通过为化学信息学工具和数据库建立一个灵活的、通用的基础设施来实现的，为化学信息学家、科学家和其他学科的研究人员提供“最佳品种”方法作为易于访问的web api，并为学术界和工业界的科学家和化学信息学从业者提供一个独特的化学信息学教育计划。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Improving usability and accessibility of cheminformatics tools for chemists through cyberinfrastructure and education.

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.

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来源期刊

In Silico Biology Computer Science-Computational Theory and Mathematics

CiteScore

2.20

自引率

0.00%

发文量

期刊介绍： The considerable "algorithmic complexity" of biological systems requires a huge amount of detailed information for their complete description. Although far from being complete, the overwhelming quantity of small pieces of information gathered for all kind of biological systems at the molecular and cellular level requires computational tools to be adequately stored and interpreted. Interpretation of data means to abstract them as much as allowed to provide a systematic, an integrative view of biology. Most of the presently available scientific journals focus either on accumulating more data from elaborate experimental approaches, or on presenting new algorithms for the interpretation of these data. Both approaches are meritorious.