Macarron

Prioritization of potentially bioactive metabolic features from epidemiological and environmental metabolomics datasets

Bioconductor version: 3.23 · Package version: 1.16.0

Macarron is a workflow for the prioritization of potentially bioactive metabolites from metabolomics experiments. Prioritization integrates strengths of evidences of bioactivity such as covariation with a known metabolite, abundance relative to a known metabolite and association with an environmental or phenotypic indicator of bioactivity. Broadly, the workflow consists of stratified clustering of metabolic spectral features which co-vary in abundance in a condition, transfer of functional annotations, estimation of relative abundance and differential abundance analysis to identify associations between features and phenotype/condition.

if (!require("BiocManager", quietly = TRUE))
    install.packages("BiocManager")

BiocManager::install("Macarron")