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New developments on the cheminformatics open workflow environment CDK-Taverna

BACKGROUND: The computational processing and analysis of small molecules is at heart of cheminformatics and structural bioinformatics and their application in e.g. metabolomics or drug discovery. Pipelining or workflow tools allow for the Lego™-like, graphical assembly of I/O modules and algorithms...

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Detalhes bibliográficos
Main Authors: Truszkowski, Andreas, Jayaseelan, Kalai Vanii, Neumann, Stefan, Willighagen, Egon L, Zielesny, Achim, Steinbeck, Christoph
Formato: Artigo
Idioma:Inglês
Publicado em: BioMed Central 2011
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3292505/
https://ncbi.nlm.nih.gov/pubmed/22166170
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1758-2946-3-54
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