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...