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

<p>Abstract</p> <p>Background</p> <p>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 thei...

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Bibliographic Details
Main Authors: Neumann Steffen, Egert Björn, Kuhn Stefan, Steinbeck Christoph
Format: Article
Language:English
Published: BMC 2008-09-01
Series:BMC Bioinformatics
Online Access:http://www.biomedcentral.com/1471-2105/9/400