Graphical Models Workshop
Metabolomics 2019

Hosted By

Raji Balasubramanian

University of Massachusetts Amherst

Denise M. Scholtens

Northwestern Feinberg School of Medicine

In this 2-hour hands-on workshop, we will provide an overview of selected methods for graphical model estimation and network modeling, with application to metabolomics. Metabolomic data can be effectively represented as networks, in which nodes represent individual metabolites and edges between pairs of nodes represent dependencies between metabolite pairs. Within this framework, we will describe methods for graphical model estimation such as the gLasso (Hastie, T. and Tibshirani, R., 2008) that are useful for describing the conditional relationships between metabolite pairs in a p>n setting. We will also highlight methods for multiple group graphical model estimation (Danaher, P. et al., 2014) and differential network analysis, such as DINGO (Ha, M. J. et al., 2014). Examples will be provided highlighting application of these techniques in clinical research.

Workshop Objectives

  1. Visualize network models using R

  2. Apply R programming to analyze metabolomics network data

  3. Explain the use of network models in metabolomics studies


Workshop Outcomes

  1. Perform differential network analyses using R

  2. Create R objects for network modeling using the igraph R package

The workshop will include hands-on R exercises in addition to didactic training. In preparation for the workshop, please download R and the required R packages onto your laptop as described here:

Download Instructions

Note on Installation:

R package graph is available on Bioconductor. In R console, enter the following:

After installing R and the required packages, please download the following .zip archive and store all files in a directory named ‘Metabolomics Workshop 2019’ on your desktop:

Download Zip

Individual files included in the .zip file are also available for download here:


Download Dataset Download rda Download R Code
(Part 1)
Download R Code
(Part 2)
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(Part 1)
Download Slides
(Part 2)