Toward an integrated machine learning model of a proteomics experiment

BA Neely, V Dorfer, L Martens, I Bludau… - Journal of proteome …, 2023 - ACS Publications
In recent years machine learning has made extensive progress in modeling many aspects of
mass spectrometry data. We brought together proteomics data generators, repository …

Leveraging transformers‐based language models in proteome bioinformatics

NQK Le - Proteomics, 2023 - Wiley Online Library
In recent years, the rapid growth of biological data has increased interest in using
bioinformatics to analyze and interpret this data. Proteomics, which studies the structure …

AlphaPeptDeep: a modular deep learning framework to predict peptide properties for proteomics

WF Zeng, XX Zhou, S Willems, C Ammar… - Nature …, 2022 - nature.com
Abstract Machine learning and in particular deep learning (DL) are increasingly important in
mass spectrometry (MS)-based proteomics. Recent DL models can predict the retention …

Recent developments in machine learning for mass spectrometry

AG Beck, M Muhoberac, CE Randolph… - ACS Measurement …, 2024 - ACS Publications
Statistical analysis and modeling of mass spectrometry (MS) data have a long and rich
history with several modern MS-based applications using statistical and chemometric …

Machine learning strategies to tackle data challenges in mass spectrometry-based proteomics

C Dens, C Adams, K Laukens… - Journal of the American …, 2024 - ACS Publications
In computational proteomics, machine learning (ML) has emerged as a vital tool for
enhancing data analysis. Despite significant advancements, the diversity of ML model …

Machine learning‐based peptide‐spectrum match rescoring opens up the immunopeptidome

C Adams, K Laukens, W Bittremieux, K Boonen - Proteomics, 2024 - Wiley Online Library
Immunopeptidomics is a key technology in the discovery of targets for immunotherapy and
vaccine development. However, identifying immunopeptides remains challenging due to …

Towards highly sensitive deep learning-based end-to-end database search for tandem mass spectrometry

Y Yu, M Li - Nature Machine Intelligence, 2025 - nature.com
Peptide identification in mass spectrometry-based proteomics is crucial for understanding
protein function and dynamics. Traditional database search methods, though widely used …

AIomics: exploring more of the proteome using mass spectral libraries extended by artificial intelligence

LY Geer, J Lapin, DJ Slotta, TD Mak… - Journal of Proteome …, 2023 - ACS Publications
The unbounded permutations of biological molecules, including proteins and their
constituent peptides, present a dilemma in identifying the components of complex …

PROSPECT: Labeled tandem mass spectrometry dataset for machine learning in proteomics

O Shouman, W Gabriel, VG Giurcoiu… - Advances in …, 2022 - proceedings.neurips.cc
Proteomics is the interdisciplinary field focusing on the large-scale study of proteins.
Proteins essentially organize and execute all functions within organisms. Today, the bottom …

Enhanced Sample Multiplexing-Based Targeted Proteomics with Intelligent Data Acquisition

K Yang, JA Paulo, SP Gygi, Q Yu - Journal of the American …, 2024 - ACS Publications
Targeted proteomics has been playing an increasingly important role in hypothesis-driven
protein research and clinical biomarker discovery. We previously created a workflow …