Evidence map›Paper›PMID 40211610›Full record

ReviewProteomics2025

Peptide Property Prediction for Mass Spectrometry Using AI: An Introduction to State of the Art Models.

Jesse Angelis, Eva Ayla Schröder, Zixuan Xiao, Wassim Gabriel, Mathias Wilhelm

Abstract readReview
In one paragraph

Review in Proteomics, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.

0numbers the graph read from it
0cells of the map it votes in
4citing 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

4 citing papers in PubMed.

  1. Review
  2. Article
  3. Carafe2 enables high qualitybioRxiv : the preprint server for biology · 2026
    Article
  4. 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

5 authors.

Jesse AngelisComputational Mass Spectrometry, Technical University of Munich, Freising, Germany.ORCID 0009-0004-8209-3112
Eva Ayla SchröderComputational Mass Spectrometry, Technical University of Munich, Freising, Germany.ORCID 0000-0002-1424-3666
Zixuan XiaoComputational Mass Spectrometry, Technical University of Munich, Freising, Germany.ORCID 0009-0005-2107-2067
Wassim GabrielComputational Mass Spectrometry, Technical University of Munich, Freising, Germany.ORCID 0000-0001-6440-9794
Mathias WilhelmComputational Mass Spectrometry, Technical University of Munich, Freising, Germany.ORCID 0000-0002-9224-3258

Funding

Bundesministerium für Bildung und Forschung 031L0305AEuropean Research Council 101077037
6 · The paper itself

Abstract

This review explores state of the art machine learning and deep learning models for peptide property prediction in mass spectrometry-based proteomics, including, but not limited to, models for predicting digestibility, retention time, charge state distribution, collisional cross section, fragmentation ion intensities, and detectability. The combination of these models enables not only the in silico generation of spectral libraries but also finds many additional use cases in the design of targeted assays or data-driven rescoring. This review serves as both an introduction for newcomers and an update for experienced researchers aiming to develop accessible and reproducible models for peptide property predictions. Key limitations of the current models, including difficulties in handling diverse post-translational modifications and instrument variability, highlight the need for large-scale, harmonized datasets, and standardized evaluation metrics for benchmarking.

Indexed as

Machine LearningMass SpectrometryPeptidesProteomicsDeep LearningHumansPeptidesdeep learningmachine learningmass spectrometrypeptide property predictionproteomics

Identifiers

PMID40211610
PMCPMC12076536

What OpenQuestion holds

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LicenceCC BY
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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.