BioinformaticsbioRxivPreprint
From mass spectral features to molecules in molecular networks: a novel workflow for untargeted metabolomics.
Damien Olivier‐Jimenez, Zakaria Bouchouireb, Simon Ollivier…·Jean‐Luc Wolfender
The paper introduces MolNotator, a method that improves molecular networking in untargeted metabolomics by predicting neutral molecules from ion data, enhancing dereplication and network integration.
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