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Science & ResearchAug 2, 2026

MassGAT: a graph-based collective learning approach for untargeted detection and annotation of LC-MS data

Motivation: The untargeted processing of Liquid Chromatography coupled to High-Resolution Mass Spectrometry (LC-HRMS) data is a major challenge for the comprehensive and robust characterisation of metabolites.

Motivation: The untargeted processing of Liquid Chromatography coupled to High-Resolution Mass Spectrometry (LC-HRMS) data is a major challenge for the comprehensive and robust characterisation of metabolites. In particular, peak detection and annotation are two challenging…

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