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Tobias Greisager Rehfeldt

dblp:311/3224 · DBLP profile ↗
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1ranked-venue papers
1as first author
1since 2021 · last 2022
0000-0002-1190-9485ORCID · verified

Domains — the database's venue-derived domains; a paper can count in several

Applied, interdisciplinary, general and emerging computing · 1 · 1 first-author · 1 since 2021

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Interdisciplinary, comprehensive, and emerging computing
1 paper
Bioinformatics and computational biology · 100%

Topics — the 3 heaviest of 3, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Bioinformatics and computational biology › metabolomics
LC-MS data analysis
0.612022
MS2AI: automated repurposing of public peptide LC-MS data for machine learning applications · Bioinform. 2022
Bioinformatics and computational biology
proteomics
0.612022
MS2AI: automated repurposing of public peptide LC-MS data for machine learning applications · Bioinform. 2022
Bioinformatics and computational biology › proteomics
peptide identification
0.212022
MS2AI: automated repurposing of public peptide LC-MS data for machine learning applications · Bioinform. 2022

Methods — techniques the papers use, named apart from their topics

convolutional neural network · 0.6
YearPublicationVenuePosition
2022 MS2AI: automated repurposing of public peptide LC-MS data for machine learning applications
abstract
MOTIVATION: Liquid-chromatography mass-spectrometry (LC-MS) is the established standard for analyzing the proteome in biological samples by identification and quantification of thousands of proteins. Machine learning (ML) promises to considerably improve the analysis of the resulting data, however, there is yet to be any tool that mediates the path from raw data to modern ML applications. More specifically, ML applications are currently hampered by three major limitations: (i) absence of balanced training data with large sample size; (ii) unclear definition of sufficiently information-rich data representations for e.g. peptide identification; (iii) lack of benchmarking of ML methods on specific LC-MS problems. RESULTS: We created the MS2AI pipeline that automates the process of gathering vast quantities of MS data for large-scale ML applications. The software retrieves raw data from either in-house sources or from the proteomics identifications database, PRIDE. Subsequently, the raw data are stored in a standardized format amenable for ML, encompassing MS1/MS2 spectra and peptide identifications. This tool bridges the gap between MS and AI, and to this effect we also present an ML application in the form of a convolutional neural network for the identification of oxidized peptides. AVAILABILITY AND IMPLEMENTATION: An open-source implementation of the software can be found at https://gitlab.com/roettgerlab/ms2ai. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.
Tobias Greisager Rehfeldt, Konrad Krawczyk, Mathias Bøgebjerg, Veit Schwämmle, Richard Röttger
Bioinform.1