Cluster Analysis Statistical Spectroscopy for the Identification of Metabolites in <sup>1</sup>H NMR Metabolomics

Metabolite identification in non-targeted NMR-based metabolomics remains a challenge. While many peaks of frequently occurring metabolites are assigned, there is a high number of unknowns in high-resolution NMR spectra, hampering biological conclusions for biomarker analysis. Here, we use a cluster...

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Bibliographic Details
Main Authors: Silke S. Heinzmann, Melanie Waldenberger, Annette Peters, Philippe Schmitt-Kopplin
Format: Article
Language:English
Published: MDPI AG 2022-10-01
Series:Metabolites
Subjects:
Online Access:https://www.mdpi.com/2218-1989/12/10/992