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Yannek Nowatzky

@yanneknowatzky.bsky.social
14 followers 32 following 1 posts
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Yannek Nowatzky @yanneknowatzky.bsky.social · 11/03/2025
Our paper on FIORA is now officially published in @naturecomms.bsky.social! 🔓Peer-reviewed and ready to shake up mass spec predictions. ⚗️🔨💻📈 Github: github.com/BAMeScience/... Paper: www.nature.com/articles/s41... Many thanks to everyone involved 🙌 #MachineLearning #MassSpec #Metabolomics #FIORA
nature.com
FIORA: Local neighborhood-based prediction of compound mass spectra from single fragmentation events - Nature Communications
FIORA, an advanced graph neural network, enhances the simulation of tandem mass spectra by learning molecular bond-breaking patterns. The open-source algorithm generates high-quality reference spectra...
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