MetaNetter 2: A Cytoscape plugin for ab initio network analysis and metabolite feature classification.

ABSTRACT: Metabolomics frequently relies on the use of high resolution mass spectrometry data. Classification and filtering of this data remain a challenging task due to the plethora of complex mass spectral artefacts, chemical noise, adducts and fragmentation that occur during ionisation and analysis. Additionally, the relationships between detected compounds can provide a wealth of information about the nature of the samples and the biochemistry that gave rise to them. We present a biochemical networking tool: MetaNetter 2 that is based on the original MetaNetter, a Cytoscape plugin that creates ab initio networks. The new version supports two major improvements: the generation of adduct networks and the creation of tables that map adduct or transformation patterns across multiple samples, providi

SUBMITTER: Burgess KEV 

PROVIDER: S-EPMC5726607 | biostudies-literature | 2017 Dec

REPOSITORIES: biostudies-literature