Evidence map›Paper›PMID 39977359›Full record

ArticleBioinformatics (Oxford, England)2025

SimMS: a GPU-accelerated cosine similarity implementation for tandem mass spectrometry.

Tornike Onoprishvili, Jui-Hung Yuan, Kamen Petrov, Vijay Ingalalli, Lila Khederlarian, Niklas Leuchtenmuller, Sona Chandra, Aurelien Duarte, Andreas Bender, Yoann Gloaguen

Abstract read
In one paragraph

Article in Bioinformatics (Oxford, England), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. Review
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

10 authors.

Tornike OnoprishviliIndependent Consultant.
Jui-Hung YuanPangea Botanica Germany GmbH, Berlin 10623, Germany.
Kamen PetrovPangea Botanica Germany GmbH, Berlin 10623, Germany.
Vijay IngalalliPangea Botanica Germany GmbH, Berlin 10623, Germany.
Lila KhederlarianPangea Botanica Ltd, London WC1A 2AJ, United Kingdom.
Niklas LeuchtenmullerWilde Ventures GmbH, Düsseldorf 40629, Germany.
Sona ChandraPangea Botanica Germany GmbH, Berlin 10623, Germany.
Aurelien DuarteIndependent Consultant.
Andreas BenderPangea Botanica Germany GmbH, Berlin 10623, Germany.
Yoann GloaguenPangea Botanica Germany GmbH, Berlin 10623, Germany.ORCID 0000-0003-0493-8592

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

motivationUntargeted metabolomics involves a large-scale comparison of the fragmentation pattern of a mass spectrum against a database containing known spectra. Given the number of comparisons involved, this step can be time-consuming.

resultsIn this work, we present a GPU-accelerated cosine similarity implementation for Tandem Mass Spectrometry (MS), with an approximately 1000-fold speedup compared to the MatchMS reference implementation, without any loss of accuracy. This improvement enables repository-scale spectral library matching for compound identification without the need for large compute clusters. This impact extends to any spectral comparison-based methods such as molecular networking approaches and analogue search. AVAILABILITY AND IMPLEMENTATION: All code, results, and notebooks supporting are freely available under the MIT license at https://github.com/pangeAI/simms/.

Indexed as

MetabolomicsSoftwareTandem Mass SpectrometryAlgorithmsComputer Graphics

Identifiers

PMID39977359
PMCPMC11886821

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.