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KNIME-CDK: Workflow-driven cheminformatics

BACKGROUND: Cheminformaticians have to routinely process and analyse libraries of small molecules. Among other things, that includes the standardization of molecules, calculation of various descriptors, visualisation of molecular structures, and downstream analysis. For this purpose, scientific work...

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Detalles Bibliográficos
Autores principales:	Beisken, Stephan, Meinl, Thorsten, Wiswedel, Bernd, de Figueiredo, Luis F, Berthold, Michael, Steinbeck, Christoph
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	BioMed Central 2013
Materias:	Software
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3765822/ https://www.ncbi.nlm.nih.gov/pubmed/24103053 http://dx.doi.org/10.1186/1471-2105-14-257

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