Metabolomics

The deepPseudoMSI project is the first method that convert LC-MS raw data to “images” and then process them using deep learning method for diagnosis.

metID is a R packge which is used for metabolite identification based on in-house database and public database based on accurate mass, retention time and/or MS2 spectra.

TidyMass project is a comprehensive computational framework that can process the whole workflow of data processing and analysis for LC-MS-based untargeted metabolomics using tidyverse principles.

MetDNA characterizes initial seed metabolites using a small tandem spectral library, and utilize their experimental MS2 spectra as surrogate spectra to annotate their reaction-paired neighbor metabolites which are subsequently served as the basis for recursive analysis.