b2slab/mWISE: Untargeted LC-MS data annotation

mWISE provides a set of strategies to annotate untargeted LC-MS data. Given a peak-intensity table as input, mWISE applies three main steps aimed at i) matching mass-to-charge ratio values to KEGG database, ii) clustering and filtering the potential KEGG candidates and iii) building a final prioritized list using diffusion in networks. mWISE takes advantage of biological pathways knowledge to improve the annotation confidence level.

install.packages("remotes")
remotes::install_github("b2slab/mWISE")