BioinformaticsBioinformaticsPeer-reviewed
Identification of metabolites from tandem mass spectra with a machine learning approach utilizing structural features
Yuanyue Li, Michael Kuhn, Anne‐Claude Gavin, Peer Bork B
The paper introduces SF-Matching, a machine learning method for metabolite identification from MS/MS spectra using structural features, achieving high accuracy when combined with CSI:FingerID.