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生物信息学中的化学

Chemistry in bioinformatics.

作者信息

Murray-Rust Peter, Mitchell John B O, Rzepa Henry S

机构信息

Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge. CB2 1EW, UK.

出版信息

BMC Bioinformatics. 2005 Jun 7;6:141. doi: 10.1186/1471-2105-6-141.

Abstract

Chemical information is now seen as critical for most areas of life sciences. But unlike Bioinformatics, where data is openly available and freely re-usable, most chemical information is closed and cannot be re-distributed without permission. This has led to a failure to adopt modern informatics and software techniques and therefore paucity of chemistry in bioinformatics. New technology, however, offers the hope of making chemical data (compounds and properties) free during the authoring process. We argue that the technology is already available; we require a collective agreement to enhance publication protocols.

摘要

化学信息如今被视为生命科学大多数领域的关键要素。但与生物信息学不同,生物信息学中的数据可公开获取且能自由再利用,而大多数化学信息是封闭的,未经许可不能重新分发。这导致未能采用现代信息学和软件技术,进而造成生物信息学中化学内容的匮乏。然而,新技术为在创作过程中使化学数据(化合物和属性)免费提供了希望。我们认为技术已然具备;我们需要达成一项集体协议来改进出版协议。

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