Exploratory analysis of metabolic changes using mass spectrometry data and graph embeddings

Exploratory analysis of metabolic changes using mass spectrometry data and graph embeddings

Abstract Mass spectrometry (MS)-based metabolomics analysis is a powerful tool, but it comes with its own set of challenges. The MS workflow involves multiple steps before its interpretation in what is denominate data mining. Data mining consists of a two-step process. First, the MS data is ordered,...

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Bibliographic Details
Main Authors: Edwin Alvarez-Mamani, Florian Buettner, Cesar A. Beltran-Castanon, Alfredo J. Ibanez
Format: Article
Language:English
Published: Nature Portfolio 2024-11-01
Series:Scientific Reports
Subjects:
Mass spectrometry
Metabolomic networks
Graph neural networks
Graph embeddings
Online Access:https://doi.org/10.1038/s41598-024-80955-5
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