Inferring chemical reaction patterns using rule composition in graph grammars
نویسندگان
چکیده
منابع مشابه
Inferring Chemical Reaction Patterns Using Rule Composition in Graph Grammars
Modeling molecules as undirected graphs and chemical reactions as graph rewriting operations is a natural and convenient approach to modeling chemistry. Graph grammar rules are most naturally employed to model elementary reactions like merging, splitting, and isomerisation of molecules. It is often convenient, in particular in the analysis of larger systems, to summarize several subsequent reac...
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ژورنال
عنوان ژورنال: Journal of Systems Chemistry
سال: 2013
ISSN: 1759-2208
DOI: 10.1186/1759-2208-4-4