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The semantics of Chemical Markup Language (CML) for computational chemistry : CompChem

This paper introduces a subdomain chemistry format for storing computational chemistry data called CompChem. It has been developed based on the design, concepts and methodologies of Chemical Markup Language (CML) by adding computational chemistry semantics on top of the CML Schema. The format allows...

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Detalhes bibliográficos
Main Authors: Phadungsukanan, Weerapong, Kraft, Markus, Townsend, Joe A, Murray-Rust, Peter
Formato: Artigo
Idioma:Inglês
Publicado em: BioMed Central 2012
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3434037/
https://ncbi.nlm.nih.gov/pubmed/22870956
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1758-2946-4-15
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