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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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Bibliografiske detaljer
Main Authors: Phadungsukanan, Weerapong, Kraft, Markus, Townsend, Joe A, Murray-Rust, Peter
Format: Artigo
Sprog:Inglês
Udgivet: BioMed Central 2012
Fag:
Online adgang: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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