Deep Learning-Assisted Peak Curation for Large-Scale LC-MS Metabolomics-Reference-Cited by-同舟云学术

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Deep Learning-Assisted Peak Curation for Large-Scale LC-MS Metabolomics

Published:2022-03-15 Issue:12 Volume:94 Page:4930-4937
ISSN:0003-2700
Container-title:Analytical Chemistry
language:en
Short-container-title:Anal. Chem.

Author:

Gloaguen Yoann¹²³^ORCID,Kirwan Jennifer A.¹³,Beule Dieter²³

Affiliation:

1. Berlin Institute of Health at Charité, Metabolomics Platform, 10178 Berlin, Germany

2. Berlin Institute of Health at Charité, Core Unit Bioinformatics, 10178 Berlin, Germany

3. Max Delbrück Center for Molecular Medicine in the Helmholtz Association, 13125 Berlin, Germany

Funder

Bundesministerium für Bildung und Forschung

Publisher

American Chemical Society (ACS)

Subject

Analytical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.analchem.1c02220

Reference26 articles.

1. XCMS: Processing Mass Spectrometry Data for Metabolite Profiling Using Nonlinear Peak Alignment, Matching, and Identification

2. MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data

3. 3D molecular cartography using LC–MS facilitated by Optimus and 'ili software

4. MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysis

5. One Step Forward for Reducing False Positive and False Negative Compound Identifications from Mass Spectrometry Metabolomics Data: New Algorithms for Constructing Extracted Ion Chromatograms and Detecting Chromatographic Peaks

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