ArticleMetabolomics : Official journal of the Metabolomic Society2017
Critical review of reporting of the data analysis step in metabolomics.
Article in Metabolomics : Official journal of the Metabolomic Society, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 32 papers, 3 of them syntheses that pooled it.
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Who cites it
32 citing papers in PubMed, 3 syntheses or guidelines pooled it.
- The Contribution of Lipidomics in Ovarian Cancer Management: A Systematic Review.International journal of molecular sciences · 2023Pooled it
- Examining the predictive accuracy of metabolomics for small-for-gestational-age babies: a systematic review.BMJ open · 2019Pooled it
- Are we close to defining a metabolomic signature of human obesity? A systematic review of metabolomics studies.Metabolomics : Official journal of the Metabolomic Society · 2019Pooled it
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- Compositional analysis of bacterial peptidoglycan: insights from peptidoglycomics into structure and function.Journal of bacteriology · 2025Review
- Securing the Future of NMR Metabolomics Reproducibility: A Call for Standardized Reporting.Analytical chemistry · 2025Review
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- A new statistical workflow (R-packages based) to investigate associations between one variable of interest and the metabolome.Metabolomics : Official journal of the Metabolomic Society · 2023Article
- Metabolomics Approaches for the Diagnosis, Treatment, and Better Disease Management of Viral Infections.Metabolites · 2023Review
- Impact of Matrix Species and Mass Spectrometry on Matrix Effects in Multi-Residue Pesticide Analysis Based on QuEChERS-LC-MS.Foods (Basel, Switzerland) · 2023Article
- Metabolomics in clinical and forensic toxicology, sports anti-doping and veterinary residues.Drug testing and analysis · 2022Review
- metaboprep: an R package for preanalysis data description and processing.Bioinformatics (Oxford, England) · 2022Article
- A Checklist for Reproducible Computational Analysis in Clinical Metabolomics Research.Metabolites · 2022Review
- Profiling Urinary Sulfate Metabolites With Mass Spectrometry.Frontiers in molecular biosciences · 2022Article
- "Fuel for the Damage Induced": Untargeted Metabolomics in Elite Rugby Union Match Play.Metabolites · 2021Article
- Discrepancies in metabolomic biomarker identification from patient-derived lung cancer revealed by combined variation in data pre-treatment and imputation methods.Metabolomics : Official journal of the Metabolomic Society · 2021Article
- Chemometric-Guided Approaches for Profiling and Authenticating Botanical Materials.Frontiers in nutrition · 2021Review
Corrections and comments
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
introductionWe present the first study to critically appraise the quality of reporting of the data analysis step in metabolomics studies since the publication of minimum reporting guidelines in 2007.
objectivesThe aim of this study was to assess the standard of reporting of the data analysis step in metabolomics biomarker discovery studies and to investigate whether the level of detail supplied allows basic understanding of the steps employed and/or reuse of the protocol. For the purposes of this review we define the data analysis step to include the data pretreatment step and the actual data analysis step, which covers algorithm selection, univariate analysis and multivariate analysis.
methodWe reviewed the literature to identify metabolomic studies of biomarker discovery that were published between January 2008 and December 2014. Studies were examined for completeness in reporting the various steps of the data pretreatment phase and data analysis phase and also for clarity of the workflow of these sections.
resultsWe analysed 27 papers, published anytime in 2008 until the end of 2014 in the area or biomarker discovery in serum metabolomics. The results of this review showed that the data analysis step in metabolomics biomarker discovery studies is plagued by unclear and incomplete reporting. Major omissions and lack of logical flow render the data analysis' workflows in these studies impossible to follow and therefore replicate or even imitate.
conclusionsWhile we await the holy grail of computational reproducibility in data analysis to become standard, we propose that, at a minimum, the data analysis section of metabolomics studies should be readable and interpretable without omissions such that a data analysis workflow diagram could be extrapolated from the study and therefore the data analysis protocol could be reused by the reader. That inconsistent and patchy reporting obfuscates reproducibility is a given. However even basic understanding and reuses of protocols are hampered by the low level of detail supplied in the data analysis sections of the studies that we reviewed.
Indexed as
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.