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14 Artificial intelligence and MALDI-TOF MS

  • Vaidya Mayuri , Jategaonkar Vinaya , Harale Geetanjali und Patil Shweta
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Abstract

Matrix-assisted laser desorption ionization – time of flight (MALDI-TOF) mass spectrometry (MS) is a technology for the identification of microorganisms since 2009. Although MALDI-TOF MS is highly accurate for microbial fingerprinting and the discovery of new organisms, its resolution power falls to the genus level with phylogenetically closely related species. In this era of advancement in artificial intelligence (AI), various frontiers are being explored to develop machine learning (ML)-based solutions. The analysis of the huge amount of information in the MS, derived from MALDI-TOF, using AI has the potential to be a breakthrough in biomolecular identification. Unidentified proteins can be characterized by AI algorithms comparing MS spectra with well-populated protein databases. These identifications can be made more accurate with ML models, which are able to learn from large datasets of known spectra. Using their mass spectra, proteins or peptides could be grouped into different categories by ML models support vector machine, genetic algorithm, artificial/supervised neural networkartificial/supervised neural network, and quick classifier. AI-assisted MALDI-TOF MS could be the next-gen solution to interpret data faster and more accurately.

Abstract

Matrix-assisted laser desorption ionization – time of flight (MALDI-TOF) mass spectrometry (MS) is a technology for the identification of microorganisms since 2009. Although MALDI-TOF MS is highly accurate for microbial fingerprinting and the discovery of new organisms, its resolution power falls to the genus level with phylogenetically closely related species. In this era of advancement in artificial intelligence (AI), various frontiers are being explored to develop machine learning (ML)-based solutions. The analysis of the huge amount of information in the MS, derived from MALDI-TOF, using AI has the potential to be a breakthrough in biomolecular identification. Unidentified proteins can be characterized by AI algorithms comparing MS spectra with well-populated protein databases. These identifications can be made more accurate with ML models, which are able to learn from large datasets of known spectra. Using their mass spectra, proteins or peptides could be grouped into different categories by ML models support vector machine, genetic algorithm, artificial/supervised neural networkartificial/supervised neural network, and quick classifier. AI-assisted MALDI-TOF MS could be the next-gen solution to interpret data faster and more accurately.

Heruntergeladen am 2.2.2026 von https://www.degruyterbrill.com/document/doi/10.1515/9783111548777-014/html
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