Evidence map›Paper›PMID 31548506›Full record

ReviewMetabolites2019

The metaRbolomics Toolbox in Bioconductor and beyond.

Jan Stanstrup, Corey D Broeckling, Rick Helmus, Nils Hoffmann, Ewy Mathé, Thomas Naake, Luca Nicolotti, Kristian Peters, Johannes Rainer, Reza M Salek and 9 more

Abstract readReview
In one paragraph

Review in Metabolites, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 46 papers, 1 of them a synthesis that pooled it.

0numbers the graph read from it
0cells of the map it votes in
46citing papers in PubMed, 1 pooled it
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

46 citing papers in PubMed, 1 synthesis or guideline pooled it.

  1. Pooled it
  2. Review
  3. Review
  4. Article
  5. Analytical chemistry · 2025
    Article
  6. Article
  7. Review
  8. Article
  9. Review
  10. Data Treatment for LC-MS Untargeted Analysis.Methods in molecular biology (Clifton, N.J.) · 2025
    Article
  11. Review
  12. Article
  13. Article
  14. Article
  15. Article
  16. Article
  17. Review
  18. Article
  19. Review
  20. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

19 authors.

Jan StanstrupPreventive and Clinical Nutrition, University of Copenhagen, Rolighedsvej 30, 1958 Frederiksberg C, Denmark. jst@nexs.ku.dk.ORCID 0000-0003-0541-7369
Corey D BroecklingProteomics and Metabolomics Facility, Colorado State University, Fort Collins, CO 80523, USA. cbroeckl@colostate.edu.
Rick HelmusInstitute for Biodiversity and Ecosystem Dynamics, University of Amsterdam, 1098 XH Amsterdam, The Netherlands. r.helmus@uva.nl.ORCID 0000-0001-9401-3133
Nils HoffmannLeibniz-Institut für Analytische Wissenschaften-ISAS-e.V., Otto-Hahn-Straße 6b, 44227 Dortmund, Germany. nils.hoffmann@isas.de.ORCID 0000-0002-6540-6875
Ewy MathéDepartment of Biomedical Informatics, College of Medicine, The Ohio State University, Columbus, OH 43210, USA. ewy.mathe@osumc.edu.ORCID 0000-0003-4491-8107
Thomas NaakeMax Planck Institute of Molecular Plant Physiology, 14476 Potsdam-Golm, Germany. naake@mpimp-golm.mpg.de.ORCID 0000-0001-7917-5580
Luca NicolottiThe Australian Wine Research Institute, Metabolomics Australia, PO Box 197, Adelaide SA 5064, Australia. luca.nicolotti@awri.com.au.
Kristian PetersLeibniz Institute of Plant Biochemistry (IPB Halle), Bioinformatics and Scientific Data, 06120 Halle, Germany. kpeters@ipb-halle.de.
Johannes RainerInstitute for Biomedicine, Eurac Research, Affiliated Institute of the University of Lübeck, 39100 Bolzano, Italy. johannes.rainer@eurac.edu.ORCID 0000-0002-6977-7147
Reza M SalekThe International Agency for Research on Cancer, 150 cours Albert Thomas, CEDEX 08, 69372 Lyon, France. Salekr@IARC.fr.ORCID 0000-0001-8604-1732
Tobias SchulzeDepartment of Effect-Directed Analysis, Helmholtz Centre for Environmental Research-UFZ, Permoserstraße 15, 04318 Leipzig, Germany. tobias.schulze@ufz.de.ORCID 0000-0002-9744-8914
Emma L SchymanskiLuxembourg Centre for Systems Biomedicine, University of Luxembourg, 6 avenue du Swing, L-4367 Belvaux, Luxembourg. emma.schymanski@uni.lu.ORCID 0000-0001-6868-8145
Michael A StravsEawag, Swiss Federal Institute of Aquatic Science and Technology, Überlandstrasse 133, 8600 Dubendorf, Switzerland. michael.stravs@eawag.ch.
Etienne A ThévenotCEA, LIST, Laboratory for Data Sciences and Decision, MetaboHUB, Gif-Sur-Yvette F-91191, France. etienne.thevenot@cea.fr.ORCID 0000-0003-1019-4577
Hendrik TreutlerLeibniz Institute of Plant Biochemistry (IPB Halle), Bioinformatics and Scientific Data, 06120 Halle, Germany. hendrik.treutler@ipb-halle.de.ORCID 0000-0001-8032-9890
Ralf J M WeberPhenome Centre Birmingham and School of Biosciences, University of Birmingham, Edgbaston, Birmingham B15 2TT, UK. r.j.weber@bham.ac.uk.
Egon WillighagenDepartment of Bioinformatics-BiGCaT, NUTRIM, Maastricht University, 6229 ER Maastricht, The Netherlands. egon.willighagen@maastrichtuniversity.nl.ORCID 0000-0001-7542-0286
Michael WittingResearch Unit Analytical BioGeoChemistry, Helmholtz Zentrum München, 85764 Neuherberg, Germany. michael.witting@helmholtz-muenchen.de.ORCID 0000-0002-1462-4426
Steffen NeumannLeibniz Institute of Plant Biochemistry (IPB Halle), Bioinformatics and Scientific Data, 06120 Halle, Germany. sneumann@ipb-halle.de.ORCID 0000-0002-7899-7192

Funding

Development of Informatics Capabilities for Tracking Unknown Mass Spectra in the National Metabolomics Data RepositoryU01CA235507 · NCI · UNIVERSITY OF NORTH CAROLINA CHARLOTTE · PI DU, XIUXIA · 2018 to 2021
$2.1M
A comprehensive gene and metabolite pathway database for improving interpretation of metabolomics dataR03CA222428 · NCI · OHIO STATE UNIVERSITY · PI MATHE, EWY A · 2017 to 2017
$155k
Medical Research Council MR/M009157/1NCI NIH HHS R03 CA222428NCI NIH HHS U01 CA235507NIH HHS 1R03CA222428-01NIH HHS 1U01CA235507-01World Health Organization 001
6 · The paper itself

Abstract

Metabolomics aims to measure and characterise the complex composition of metabolites in a biological system. Metabolomics studies involve sophisticated analytical techniques such as mass spectrometry and nuclear magnetic resonance spectroscopy, and generate large amounts of high-dimensional and complex experimental data. Open source processing and analysis tools are of major interest in light of innovative, open and reproducible science. The scientific community has developed a wide range of open source software, providing freely available advanced processing and analysis approaches. The programming and statistics environment R has emerged as one of the most popular environments to process and analyse Metabolomics datasets. A major benefit of such an environment is the possibility of connecting different tools into more complex workflows. Combining reusable data processing R scripts with the experimental data thus allows for open, reproducible research. This review provides an extensive overview of existing packages in R for different steps in a typical computational metabolomics workflow, including data processing, biostatistics, metabolite annotation and identification, and biochemical network and pathway analysis. Multifunctional workflows, possible user interfaces and integration into workflow management systems are also reviewed. In total, this review summarises more than two hundred metabolomics specific packages primarily available on CRAN, Bioconductor and GitHub.

Indexed as

bioconductorcompound identificationCRANdata integrationfeature selectionlipidomicsmass Spectrometrymetabolite networksmetabolomicsNMR spectroscopyRsignal processingstatistical data analysis

Identifiers

PMID31548506
PMCPMC6835268

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

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.