metabom8

A High-Performance R Package for Metabolomics Modeling and Analysis

Bioconductor version: 3.23 · Package version: 1.0.8

Tools for 1D NMR metabolomics workflows, including import and preprocessing of Bruker experiments, multivariate modeling (PCA, PLS, OPLS) and model analytics and validation (y-permutations, cv-anova). Performance-critical routines are implemented in C++ and use the Armadillo and Eigen linear algebra libraries to improve runtime.

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

BiocManager::install("metabom8")