Evidence map›Paper›PMID 36744821›Full record

ReviewJournal of proteome research2023

Toward an Integrated Machine Learning Model of a Proteomics Experiment.

Benjamin A Neely, Viktoria Dorfer, Lennart Martens, Isabell Bludau, Robbin Bouwmeester, Sven Degroeve, Eric W Deutsch, Siegfried Gessulat, Lukas Käll, Pawel Palczynski and 8 more

Abstract readReview
In one paragraph

Review in Journal of proteome research, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 33 papers, 2 of them syntheses that pooled it.

0numbers the graph read from it
0cells of the map it votes in
33citing papers in PubMed, 2 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

33 citing papers in PubMed, 2 syntheses or guidelines pooled it.

  1. Pooled it
  2. Pooled it
  3. Review
  4. Article
  5. Review
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  13. Review
  14. Review
  15. TIMSJournal of proteome research · 2025
    Article
  16. Article
  17. Article
  18. The PRIDE database at 20 years: 2025 update.Nucleic acids research · 2025
    Article
  19. Review
  20. Generative Artificial Intelligence for Virology.Methods in molecular biology (Clifton, N.J.) · 2025
    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

18 authors.

Benjamin A NeelyNational Institute of Standards and Technology, Charleston, South Carolina 29412, United States.ORCID 0000-0001-6120-7695
Viktoria DorferBioinformatics Research Group, University of Applied Sciences Upper Austria, Softwarepark 11, 4232 Hagenberg, Austria.ORCID 0000-0002-5332-5701
Lennart MartensVIB-UGent Center for Medical Biotechnology, VIB, 9000 Ghent, Belgium.ORCID 0000-0003-4277-658X
Isabell BludauDepartment of Proteomics and Signal Transduction, Max Planck Institute of Biochemistry, 82152 Martinsried, Germany.
Robbin BouwmeesterVIB-UGent Center for Medical Biotechnology, VIB, 9000 Ghent, Belgium.ORCID 0000-0001-6807-7029
Sven DegroeveVIB-UGent Center for Medical Biotechnology, VIB, 9000 Ghent, Belgium.ORCID 0000-0001-8349-3370
Eric W DeutschInstitute for Systems Biology, Seattle, Washington 98109, United States.ORCID 0000-0001-8732-0928
Siegfried GessulatMSAID GmbH, 10559 Berlin, Germany.
Lukas KällScience for Life Laboratory, KTH - Royal Institute of Technology, 171 21 Solna, Sweden.ORCID 0000-0001-5689-9797
Pawel PalczynskiDepartment of Biochemistry and Molecular Biology, University of Southern Denmark, 5230 Odense, Denmark.
Samuel H PayneDepartment of Biology, Brigham Young University, Provo, Utah 84602, United States.ORCID 0000-0002-8351-1994
Tobias Greisager RehfeldtInstitute for Mathematics and Computer Science, University of Southern Denmark, 5230 Odense, Denmark.ORCID 0000-0002-1190-9485
Tobias SchmidtMSAID GmbH, 85748 Garching, Germany.ORCID 0000-0002-1883-6514
Veit SchwämmleDepartment of Biochemistry and Molecular Biology, University of Southern Denmark, 5230 Odense, Denmark.ORCID 0000-0002-9708-6722
Julian UszkoreitMedical Proteome Analysis, Center for Protein Diagnostics (ProDi), Ruhr University Bochum, 44801 Bochum, Germany.ORCID 0000-0001-7522-4007
Juan Antonio VizcaínoEuropean Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, United Kingdom.ORCID 0000-0002-3905-4335
Mathias WilhelmComputational Mass Spectrometry, Technical University of Munich (TUM), 85354 Freising, Germany.ORCID 0000-0002-9224-3258
Magnus PalmbladLeiden University Medical Center, Postbus 9600, 2300 RC Leiden, The Netherlands.ORCID 0000-0002-5865-8994

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

In recent years machine learning has made extensive progress in modeling many aspects of mass spectrometry data. We brought together proteomics data generators, repository managers, and machine learning experts in a workshop with the goals to evaluate and explore machine learning applications for realistic modeling of data from multidimensional mass spectrometry-based proteomics analysis of any sample or organism. Following this sample-to-data roadmap helped identify knowledge gaps and define needs. Being able to generate bespoke and realistic synthetic data has legitimate and important uses in system suitability, method development, and algorithm benchmarking, while also posing critical ethical questions. The interdisciplinary nature of the workshop informed discussions of what is currently possible and future opportunities and challenges. In the following perspective we summarize these discussions in the hope of conveying our excitement about the potential of machine learning in proteomics and to inspire future research.

Indexed as

Machine LearningProteomicsAlgorithmsMass Spectrometryartificial intelligencedeep learningenzymatic digestionion mobilityliquid chromatographymachine learningresearch integritysynthetic datatandem mass spectrometry

Identifiers

PMID36744821
PMCPMC9990124

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.