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Modern machine‐learning applications in ambient ionization mass spectrometry

Anatoly Sorokin, Stanislav I. Pekov, Denis S. Zavorotnyuk, Mariya M. Shamraeva, Denis S. Bormotov, Igor A. Popov

2024Mass Spectrometry Reviews16 citationsDOIOpen Access PDF

Abstract

This article provides a comprehensive overview of the applications of methods of machine learning (ML) and artificial intelligence (AI) in ambient ionization mass spectrometry (AIMS). AIMS has emerged as a powerful analytical tool in recent years, allowing for rapid and sensitive analysis of various samples without the need for extensive sample preparation. The integration of ML/AI algorithms with AIMS has further expanded its capabilities, enabling enhanced data analysis. This review discusses ML/AI algorithms applicable to the AIMS data and highlights the key advancements and potential benefits of utilizing ML/AI in the field of mass spectrometry, with a focus on the AIMS community.

Topics & Concepts

ChemistryMass spectrometryAmbient ionizationIonizationIon-mobility spectrometry–mass spectrometryChromatographyChemical ionizationAnalytical Chemistry (journal)Electrospray ionizationSample preparation in mass spectrometryIonOrganic chemistryMass Spectrometry Techniques and ApplicationsMetabolomics and Mass Spectrometry StudiesAnalytical Chemistry and Chromatography
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