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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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Autori principali: Phadungsukanan, Weerapong, Kraft, Markus, Townsend, Joe A, Murray-Rust, Peter
Natura: Artigo
Lingua:Inglês
Pubblicazione: BioMed Central 2012
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Accesso online: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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