treecompareR: Tree Visualizations of Chemical Space

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Abstract

This paper presents thetreecompareRpackage for<monospace>R</monospace>, which provides tools for reproducible visualizations of data through the use of taxonomies. The package builds on developments fromggplot2andggtreeto provide visualizations tailored for use with taxonomic classification data. Additionally, it provides tools that leverage developments in network analysis to compare data sets. While designed specifically for chemical classification objectives using ClassyFire (<ext-link xmlns:xlink="http://www.w3.org/1999/xlink" ext-link-type="uri" xlink:href="http://classyfire.wishartlab.com/">http://classyfire.wishartlab.com/</ext-link>),treecompareRalso provides tools for use with more general taxonomies.treecompareRis available from GitHub at<ext-link xmlns:xlink="http://www.w3.org/1999/xlink" ext-link-type="uri" xlink:href="https://github.com/USEPA/treecompareR">https://github.com/USEPA/treecompareR</ext-link>.

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