Fiora: Local neighborhood-based prediction of compound mass spectra from single fragmentation events
Yannek Nowatzky, Francesco F. Russo, Jan Lisec, Alexander Kister, Knut Reinert, Thilo Muth, Philipp Benner
Fiora predicts compound mass spectra from single fragmentation events using graph neural networks, outperforming existing methods and enabling faster spectral library expansion.
Nature Communications · Mar 7, 2025Peer-reviewedBioinformatics