FIORA: Local neighborhood-based prediction of compound mass spectra from single fragmentation events

Abstract Non-targeted metabolomics holds great promise for advancing precision medicine and biomarker discovery. However, identifying compounds from tandem mass spectra remains a challenging task due to the incomplete nature of spectral reference libraries. Augmenting these libraries with simulated...

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Hlavní autoři:	Yannek Nowatzky, Francesco Friedrich Russo, Jan Lisec, Alexander Kister, Knut Reinert, Thilo Muth, Philipp Benner
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	Nature Portfolio 2025-03-01
Edice:	Nature Communications
On-line přístup:	https://doi.org/10.1038/s41467-025-57422-4
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