Chemical markup, XML, and the world wide web. 6. CMLReact, an XML vocabulary for chemical reactions
Chemical markup, XML, and the world wide web. 6. CMLReact, an XML vocabulary for chemical reactions
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DOI：
10.1021/ci0502698
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发表时间：
2006-01-01
影响因子：
5.6
通讯作者：
Rzepa, HS
中科院分区：
文献类型：
--
作者：
Holliday, GL;Murray-Rust, P;Rzepa, HS
CML中添加了一组用于管理化学和生化反应的组件（CMLReact）。这些可以结合起来，以支持大多数反应的形式表示策略。元素、属性和类型被正式定义为XMLSchema组件，并开发了它们的语义。本文介绍了CML语言的新语法和新语义，并给出了10个实例.
A set of components (CMLReact) for managing chemical and biochemical reactions has been added to CML. These can be combined to support most of the strategies for the formal representation of reactions. The elements, attributes, and types are formally defined as XMLSchema components, and their semantics are developed. New syntax and semantics in CML are reported and illustrated with 10 examples.