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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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Detalles Bibliográficos
Autores principales: Phadungsukanan, Weerapong, Kraft, Markus, Townsend, Joe A, Murray-Rust, Peter
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3434037/
https://www.ncbi.nlm.nih.gov/pubmed/22870956
http://dx.doi.org/10.1186/1758-2946-4-15