Chemical markup, XML, and the world wide web. 6. CMLReact, an XML vocabulary for chemical reactions.
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.
Holliday
Gemma L
GL
Department of Chemistry, Unilever Center for Molecular Informatics, Cambridge, UK.
Murray-Rust
Peter
P
Rzepa
Henry S
HS