R users: networkly: network visualization in R using Plotly
In addition to their more common uses, networks can be used as powerful multivariate data visualizations and exploration tools. Networks not only provide mathematical representations of data but are also one of the few data visualization methods capable of easily displaying multivariate variable relationships. The process of network mapping involves using the network manifold to display a variety of other information e.g. statistical, machine learning or functional analysis results (see more mapped network examples).

The combination of Plotly and Shiny is awesome for creating your very own network mapping tools. Networkly is an R package which can be used to create 2-D and 3-D interactive networks which are rendered with plotly and can be easily integrated into shiny apps or markdown documents. All you need to get started is an edge list and node attributes which can then be used to generate interactive 2-D and 3-D networks with customizable edge (color, width, hover, etc) and node (color, size, hover, label, etc) properties.
2-Dimensional Network (interactive version)
3-Dimensional Network (interactive version)

View all code used to generate the networks above.
February 28, 2016 | Categories: Uncategorized | Tags: data analysis, data visualization, network, network mapping, networkly, plotly, R, r-bloggers, shiny | Leave a comment
I recently had the pleasure of giving a presentation on one of my favorite topics, network mapping, and its application to metabolomic and genomic data integration. You can check out the full presentation below.
November 2, 2014 | Categories: Uncategorized | Tags: biochemical network, chemical similarity network, data analysis, data visualization, DeviumWeb, genomics, metabolomics, MetaMapR, network mapping, topological data analysis | Leave a comment
Recently I had the pleasure of speaking about one of my favorite topics, Network Mapping. This is a continuation of a general theme I’ve previously discussed and involves the merger of statistical and multivariate data analysis results with a network.
Over the past year I’ve been working on two major tools, DeviumWeb and MetaMapR, which aid the process of biological data (metabolomic) network mapping.

DeviumWeb– is a shiny based GUI written in R which is useful for:
- data manipulation, transformation and visualization
- statistical analysis (hypothesis testing, FDR, power analysis, correlations, etc)
- clustering (heiarchical, TODO: k-means, SOM, distribution)
- principal components analysis (PCA)
- orthogonal partial least squares multivariate modeling (O-/PLS/-DA)

MetaMapR– is also a shiny based GUI written in R which is useful for calculation and visualization of various networks including:
- biochemical
- structural similarity
- mass spectral similarity
- correlation
Both of theses projects are under development, and my ultimate goal is to design a one-stop-shop ecosystem for network mapping.
In addition to network mapping,the video above and presentation below also discuss normalization schemes for longitudinal data and genomic, proteomic and metabolomic functional analysis both on a pathway and global level.
As always happy network mapping!

June 27, 2014 | Categories: Uncategorized | Tags: biochemical network, chemical similarity network, correlation network, Cytoscape, data analysis, data visualization, DeviumWeb, ggplot2, metabolomics, MetaMapR, multivariate, network mapping, O-PLS, R, r-bloggers, shiny, statistical analysis | 6 Comments
I’ve recently participated in the American Society of Mass Spectrommetry (ASMS) conference and had a great time. I met some great people and have a few new ideas for future projects. Specifically giving a go at using self-organizing maps (SOM) and the R package mcclust for clustering alternatives to hierarchical and k-means methods.
I had the pleasure of speaking at the conference in the Informatics-Metabolomics section, and was also a co-author on a project detailing a multi-metabolomics strategy (primary metabolites, lipids, and oxylipins) for the study of type 1 diabetes in an animal model. Keep an eye out for my full talk in an upcoming post.

June 26, 2014 | Categories: Uncategorized | Tags: American Society of Mass Spectrommetry, ASMS, biochemical network, chemical similarity network, conference, data analysis, data visualization, DeviumWeb, metabolomics, MetaMapR, network mapping, networks, self-organizing maps | 1 Comment
High dimensional biological data shares many qualities with other forms of data. Typically it is wide (samples << variables), complicated by experiential design and made up of complex relationships driven by both biological and analytical sources of variance. Luckily the powerful combination of R, Cytoscape (< v3) and the R package RCytoscape can be used to generate high dimensional and highly informative representations of complex biological (and really any type of) data. Check out the following examples of network mapping in action or view a more indepth presentation of the techniques used below.
Partial correlation network highlighting changes in tumor compared to control tissue from the same patient.

Biochemical and structural similarity network of changes in tumor compared to control tissue from the same patient.

Hierarchical clusters (color) mapped to a biochemical and structural similarity network displaying difference before and after drug administration.

Partial correlation network displaying changes in metabolite relationships in response to drug treatment.
Partial correlation network displaying changes in disease and response to drug treatment.

Check out the full presentation below.

February 22, 2014 | Categories: Uncategorized | Tags: biochemical network, chemical similarity network, clustering, correlation network, Cytoscape, data analysis, data visualization, Devium, metabolomics, multivariate, network, network mapping, O-PLS-DA, r-bloggers, tutorial | Leave a comment
Network mapping is a high-dimensional data visualization technique which can be applied to virtually any type of data. I recently gave a tutorial on the basics of network mapping where each participants generated a mapped network for their name.
Download the full tutorial at TeachingDemos, and then follow along with the tutorial at your own pace.
Happy network mapping!
January 31, 2014 | Categories: Uncategorized | Tags: biochemical network, chemical similarity network, data visualization, MetaMapR, network mapping, networks, TeachingDemos, tutorial | Leave a comment
I am happy to announce the release of MetaMapR (v1.2.0).
New features include:
- An independent module for biological database identifier translations using the Chemical Translation System (CTS)
- a retention time filter for mass spectral connections
- increase in calculation speed
An application of MetaMapR was recently featured in an article in the Nov. 4th 2013 issue of Chemical & Engineering News (C&EN) , 91(44). This tool was used to generate a network of > 1200 metabolites based on enzymatic transformations and structural similarities.

The full article can be found be found here as well as the original image.
December 25, 2013 | Categories: Uncategorized | Tags: biochemical network, chemical similarity network, chemical translations, correlation network, data visualization, mass spectral similarity, metabolomics, MetaMapR, network mapping | Leave a comment
I recently gave a presentation of some of my work in network mapping to my research lab. The following covers my progress in the development of my metabolomic network mapping tool MetaMapR, and its application to a variety of data sets including a comparison of normal and malignant lung tissue from the same patient.
November 21, 2013 | Categories: Uncategorized | Tags: biochemical network, chemical similarity network, correlation network, Cytoscape, data analysis, data visualization, Gaussian graphical Markov metabolic network, metabolomics, MetaMapR, multivariate, network, network mapping | Leave a comment
Here are a video and slides for a presentation of mine about my favorite topic :
June 14, 2013 | Categories: Uncategorized | Tags: biochemical network, biochmical network, chemical similarity network, clustering, Cytoscape, data analysis, data visualization, metabolomics, multivariate, network, network mapping, networks, O-PLS, O-PLS-DA, PCA, PLS, PLS-DA | 1 Comment