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.

Getting started

Package details

Bioconductor views Annotation KEGG MassSpectrometry Metabolomics Network Pathways Software
Package repositoryView on GitHub
Installation Install the latest version of this package by entering the following in R:
b2slab/mWISE documentation built on Feb. 2, 2022, 12:24 a.m.