Prediction of peptide mass spectral libraries with machine learning

J Cox - Nature Biotechnology, 2023 - nature.com
The recent development of machine learning methods to identify peptides in complex mass
spectrometric data constitutes a major breakthrough in proteomics. Longstanding methods …

Deep learning neural network tools for proteomics

JG Meyer - Cell Reports Methods, 2021 - cell.com
Mass-spectrometry-based proteomics enables quantitative analysis of thousands of human
proteins. However, experimental and computational challenges restrict progress in the field …

Rapid prediction of electron–ionization mass spectrometry using neural networks

JN Wei, D Belanger, RP Adams, D Sculley - ACS central science, 2019 - ACS Publications
When confronted with a substance of unknown identity, researchers often perform mass
spectrometry on the sample and compare the observed spectrum to a library of previously …

Prediction of lc-ms/ms properties of peptides from sequence by deep learning*[s]

S Guan, MF Moran, B Ma - Molecular & Cellular Proteomics, 2019 - ASBMB
Deep learning models for prediction of three key LC-MS/MS properties from peptide
sequences were developed. The LC-MS/MS properties or behaviors are indexed retention …

Deep learning approaches for data-independent acquisition proteomics

Y Yang, L Lin, L Qiao - Expert Review of Proteomics, 2021 - Taylor & Francis
Introduction Data-independent acquisition (DIA) is an emerging technology for large-scale
proteomic studies. DIA data analysis methods are evolving rapidly, and deep learning has …

Peptide sequencing with deep learning

R Qiao - 2020 - uwspace.uwaterloo.ca
In shotgun proteomics, de novo peptide sequencing from tandem mass spectrometry data is
the key technology for finding new peptide or protein sequences. It has successful …

Deep learning algorithms for database-driven peptide search

J Zumer - 2024 - papyrus.bib.umontreal.ca
Modern proteomics–the large-scale analysis of proteins (Graves and Haystead, 2002)–
relies heavily on the analysis of complex raw experimental, time series-like data. In a typical …

[PDF][PDF] Uncertainty aware classification

MP NIETO - 2023 - core.ac.uk
Multiclass classification in machine learning allows the automation of optimal decision
making by means of learning algorithms and annotated datasets. However, it is still difficult …

Exploring Machine Learning Applications to Enable Next-Generation Chemistry

JN Wei - 2019 - search.proquest.com
As global demand for energy and materials grow while our dependence on petroleum and
fossil fuels declines, it is necessary to revolutionize the way we make new materials …

Deep learning for peptide identification from metaproteomics datasets

X Guo, S Feng - arXiv preprint arXiv:2009.11241, 2020 - arxiv.org
Metaproteomics are becoming widely used in microbiome research for gaining insights into
the functional state of the microbial community. Current metaproteomics studies are …