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Updated: Jun 3, 2026

Identification and Quantification of Deranged Metabolites in Critically Ill Patients Using NMR-Based Metabolomics
Published on: November 29, 2024
From data processing to multivariate validation--essential steps in extracting interpretable information from
Mattias Eliasson1, Stefan Rännar, Johan Trygg
1Computational Life Science Cluster, Department of Chemistry, Umeå University, SE-901 87 Umeå, Sweden.
Abstract:
In metabolomics studies there is a clear increase of data. This indicates the necessity of both having a battery of suitable analysis methods and validation procedures able to handle large amounts of data. In this review, an overview of the metabolomics data processing pipeline is presented. A selection of recently developed and most cited data processing methods is discussed. In addition, commonly used chemometric and machine learning analysis methods as well as validation approaches are described.

