Chemical Engineering, MIT, Cambridge, MA 02139; Statistics and Actuarial Science, The University of Hong Kong, Pokfulam, Hong Kong; Chemical Engineering, Electrical Engineering and Computer Science, MIT, Cambridge, MA 02139; Computational and Systems Biology, MIT, Cambridge, MA 02139
Samuel Goldman, John Bradshaw, Jiayi Xin, Connor Coley
molecules;prefix tree;mass spectra;mass spectrum prediction;metabolomics;GNNs;chemistry;biology
Prefix-Tree Decoding for Predicting Mass Spectra from Molecules