Chemical Markup, XML, and the World Wide Web. 6. CMLReact, an XML Vocabulary for Chemical Reactions

نویسندگان

  • Gemma L. Holliday
  • Peter Murray-Rust
  • Henry S. Rzepa
چکیده

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.

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عنوان ژورنال:
  • Journal of chemical information and modeling

دوره 46 1  شماره 

صفحات  -

تاریخ انتشار 2006