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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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Библиографические подробности
Главные авторы: Kuhn, Stefan, Egert, Björn, Neumann, Steffen, Steinbeck, Christoph
Формат: Artigo
Язык:Inglês
Опубликовано: BioMed Central 2008
Предметы:
Online-ссылка: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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