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Macarron

Bioc current

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

v1.16.0 · software · MIT + file LICENSE

Release Lineage

Entered 3.15 · Apr 27, 2022

Current · Requires R 4.6

1.0 In 9 of 49 releases 3.23

Description

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.

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