Bi-modal Variational Autoencoders for Metabolite Identification Using Tandem Mass Spectrometry
S. Kutuzova, C. Igel, M. Nielsen, D. McCloskey
The paper introduces a bi-modal variational autoencoder to identify metabolites from tandem mass spectrometry data by learning from unpaired molecule structures and spectra.
bioRxiv · Aug 3, 2021 · PreprintBiochemistry