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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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Hlavní autoři: Kuhn, Stefan, Egert, Björn, Neumann, Steffen, Steinbeck, Christoph
Médium: Artigo
Jazyk:Inglês
Vydáno: BioMed Central 2008
Témata:
On-line přístup: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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