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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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Bibliografische gegevens
Hoofdauteurs: Phadungsukanan, Weerapong, Kraft, Markus, Townsend, Joe A, Murray-Rust, Peter
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: BioMed Central 2012
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Online toegang: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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