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Building blocks for automated elucidation of metabolites: Machine learning methods for NMR prediction

BACKGROUND: Current efforts in Metabolomics, such as the Human Metabolome Project, collect structures of biological metabolites as well as data for their characterisation, such as spectra for identification of substances and measurements of their concentration. Still, only a fraction of existing met...

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Detalhes bibliográficos
Main Authors: Kuhn, Stefan, Egert, Björn, Neumann, Steffen, Steinbeck, Christoph
Formato: Artigo
Idioma:Inglês
Publicado em: BioMed Central 2008
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2605476/
https://ncbi.nlm.nih.gov/pubmed/18817546
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1471-2105-9-400
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