Language model-guided anticipation and discovery of unknown metabolites
Hantao Qiang, Fei Wang, Wenyun Lu, Xi Xing, Hahn Kim, Sandrine A. M. Mérette, Lucas B. Ayres, Eponine Oler, Jenna E. AbuSalim, Asael Roichman, Michael D. Neinast, Ricardo A. Cordova, Won Dong Lee, Ehud Herbst, Vishu Gupta, , Michael A. Skinnider
This paper introduces DeepMet, a chemical language model that predicts and discovers unknown metabolites using mass spectrometry data.
bioRxiv · Nov 13, 2024 · PreprintBioinformatics