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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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Bibliografiske detaljer
Main Authors: Kuhn, Stefan, Egert, Björn, Neumann, Steffen, Steinbeck, Christoph
Format: Artigo
Sprog:Inglês
Udgivet: BioMed Central 2008
Fag:
Online adgang: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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