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Automated Identification of Molecular Structures for NMR Based Metabolomics

Authors:
Arianna Filntisi
Pantelis Asvestas
Charalambos Fotakis
Panagiotis Zoumpoulakis
George K. Matsopoulos
Dionisis Cavouras

Keywords: metabolomics; automated metabolite identification; 1H NMR

Abstract:
The Nuclear Magnetic Resonance (NMR) based metabolomics approach is implemented in medicine and pharmacology to assess, identify and quantify metabolites in different biological samples. Metabolite determination, which is a challenging task due to the complexity of the biological matrices, can benefit from bioinformatics tools. In this context, our research has focused on the development of a new computational metabolite identification method from 1H-NMR spectra.

Pages: 35 to 36

Copyright: Copyright (c) IARIA, 2016

Publication date: June 26, 2016

Published in: conference

ISSN: 2308-4383

ISBN: 978-1-61208-488-6

Location: Lisbon, Portugal

Dates: from June 26, 2016 to June 30, 2016