Collection
Hot Topics - Compound identification in metabolomics studies
- Submission status
- Closed
The assignment of a chemical structure to detected features in mass spectrometry and NMR spectroscopy metabolomics studies can be a hurdle in generating biological knowledge from metabolomics studies. New technologies, resources and analytical methods have been developed overcome some of the hurdles. In this hot topic collection we will present current state-of-the-art and important considerations in compound identification in metabolomics as well as a discussion topic article derived from an online workshop.
Editors
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Warwick Dunn, PhD
BSc, PhD, Institute of Systems, Molecular and Integrative Biology, University of Liverpool, Liverpool, United Kingdom
Articles (4 in this collection)
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Problems, principles and progress in computational annotation of NMR metabolomics data
Authors
- Michael T. Judge
- Timothy M. D. Ebbels
- Content type: Review Article
- Open Access
- Published: 05 December 2022
- Article: 102
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Good practices and recommendations for using and benchmarking computational metabolomics metabolite annotation tools
Authors (first, second and last of 7)
- Niek F. de Jonge
- Kevin Mildau
- Justin J. J. van der Hooft
- Content type: Review Article
- Open Access
- Published: 05 December 2022
- Article: 103
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The critical role that spectral libraries play in capturing the metabolomics community knowledge
Authors
- Wout Bittremieux
- Mingxun Wang
- Pieter C. Dorrestein
- Content type: Review Article
- Published: 19 November 2022
- Article: 94