Evidence map›Paper›PMID 33467846›Full record

ArticleAnalytical chemistry2021

A Practical Guide to Metabolomics Software Development.

Hui-Yin Chang, Sean M Colby, Xiuxia Du, Javier D Gomez, Maximilian J Helf, Katerina Kechris, Christine R Kirkpatrick, Shuzhao Li, Gary J Patti, Ryan S Renslow and 4 more

Abstract read
In one paragraph

Article in Analytical chemistry, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 31 papers.

0numbers the graph read from it
0cells of the map it votes in
31citing papers in PubMed
–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

31 citing papers in PubMed.

  1. Article
  2. Bioactivity-guided metabolomics reveals discriminant cytotoxic signatures in Siparuna guianensis.Metabolomics : Official journal of the Metabolomic Society · 2026
    Article
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  8. Review
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  12. Article
  13. Review
  14. Article
  15. ReducingAnalytical chemistry · 2023
    Article
  16. Article
  17. Article
  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

14 authors.

Hui-Yin ChangDepartment of Pathology, University of Michigan, 1301 Catherine Street, Ann Arbor, Michigan 48109, United States.ORCID 0000-0003-1767-1874
Sean M ColbyBiological Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, MSIN: K8-98, Richland, Washington 99352, United States.
Xiuxia DuDepartment of Bioinformatics & Genomics, University of North Carolina at Charlotte, 9201 University City Boulevard, Charlotte, North Carolina 28223, United States.ORCID 0000-0002-3468-9585
Javier D GomezDepartment of Chemical and Biomolecular Engineering, Vanderbilt University, PMB 351604, 2301 Vanderbilt Place, Nashville, Tennessee 37235, United States.
Maximilian J HelfBoyce Thompson Institute and Department of Chemistry and Chemical Biology, Cornell University, 533 Tower Road, Ithaca, New York 14853, United States.
Katerina KechrisDepartment of Biostatistics and Informatics, University of Colorado Anschutz Medical Campus, 13001 East 17th Place B119, Aurora, Colorado 80045, United States.
Christine R KirkpatrickSan Diego Supercomputer Center, University of California San Diego, MC 0505, 9500 Gilman Drive, La Jolla, California 92093, United States.
Shuzhao LiThe Jackson Laboratory for Genomic Medicine, 10 Discovery Drive, Farmington, Connecticut 06032, United States.
Gary J PattiDepartment of Chemistry, Department of Medicine, and Siteman Cancer Center, Washington University in St. Louis, CB 1134, One Brookings Drive, St. Louis, Missouri 63130, United States.ORCID 0000-0002-3748-6193
Ryan S RenslowBiological Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, MSIN: K8-98, Richland, Washington 99352, United States.ORCID 0000-0002-3969-5570
Shankar SubramaniamSan Diego Supercomputer Center, University of California San Diego, MC 0505, 9500 Gilman Drive, La Jolla, California 92093, United States.
Mukesh VermaEpidemiology and Genomics Research Program, National Cancer Institute, National Institutes of Health, Suite 4E102, 9609 Medical Center Drive, MSC 9763, Rockville, Maryland 20850, United States.
Jianguo XiaFaculty of Agricultural and Environmental Sciences, McGill University, 21111 Lakeshore Road, Ste. Anne de Bellevue, Quebec H9X 3 V9, Canada.
Jamey D YoungDepartment of Chemical and Biomolecular Engineering, Vanderbilt University, PMB 351604, 2301 Vanderbilt Place, Nashville, Tennessee 37235, United States.ORCID 0000-0002-0871-1494

Funding

Translational Analysis CoreP30DK058404 · NIDDK · VANDERBILT UNIVERSITY MEDICAL CENTER · PI RICHARD M. PEEK · 2002 to 2026
$29.9M
National Metabolomics Data Repository - nextgen Metabolomics WorkbenchU2CDK119886 · NIDDK · UNIVERSITY OF CALIFORNIA, SAN DIEGO · PI SUBRAMANIAM, SHANKAR · 2018 to 2021
$12.7M
Pacific Northwest Advanced Compound Identification CoreU2CES030170 · NIEHS · BATTELLE PACIFIC NORTHWEST LABORATORIES · PI METZ, THOMAS O · 2018 to 2021
$4.6M
Michigan Compound Identification Development Cores (MCIDC)U2CES030164 · NIEHS · UNIVERSITY OF MICHIGAN AT ANN ARBOR · PI EVANS, CHARLES ROBERT, NESVIZHSKII, ALEXEY I · 2018 to 2021
$4.1M
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
Mummichog 3, aligning mass spectrometry data to biological networks - Neutral LossU01CA235493 · NCI · JACKSON LABORATORY · PI LI, SHUZHAO, SIUZDAK, GARY E · 2018 to 2021
$2.0M
Addressing Sparsity in Metabolomics Data AnalysisU01CA235488 · NCI · UNIVERSITY OF COLORADO DENVER · PI GHOSH, DEBASHIS, KECHRIS-MAYS, KATHERINA · 2018 to 2021
$1.8M
A Comprehensive Platform for High-Throughput Profiling of the Human Reference MetabolomeU01CA235482 · NCI · WASHINGTON UNIVERSITY · PI PATTI, GARY J · 2018 to 2021
$1.8M
Tools for Leveraging High-Resolution MS Detection of Stable Isotope Enrichments to Upgrade the Information Content of Metabolomics DatasetsU01CA235508 · NCI · VANDERBILT UNIVERSITY · PI ALLEN, DOUG, YOUNG, JAMEY D. · 2018 to 2021
$1.7M
NCI NIH HHS U01 CA235482NCI NIH HHS U01 CA235488NCI NIH HHS U01 CA235493NCI NIH HHS U01 CA235507NCI NIH HHS U01 CA235508NIDDK NIH HHS P30 DK058404NIDDK NIH HHS U2C DK119886NIEHS NIH HHS U2C ES030164NIEHS NIH HHS U2C ES030170
6 · The paper itself

Abstract

A growing number of software tools have been developed for metabolomics data processing and analysis. Many new tools are contributed by metabolomics practitioners who have limited prior experience with software development, and the tools are subsequently implemented by users with expertise that ranges from basic point-and-click data analysis to advanced coding. This Perspective is intended to introduce metabolomics software users and developers to important considerations that determine the overall impact of a publicly available tool within the scientific community. The recommendations reflect the collective experience of an NIH-sponsored Metabolomics Consortium working group that was formed with the goal of researching guidelines and best practices for metabolomics tool development. The recommendations are aimed at metabolomics researchers with little formal background in programming and are organized into three stages: (i) preparation, (ii) tool development, and (iii) distribution and maintenance.

Indexed as

Cloud ComputingSoftwareMetabolomics

Identifiers

PMID33467846
PMCPMC7859930

What OpenQuestion holds

Textmetadata
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.