BioDendro is a metabolomics package and workflow that enables analysts to flexibly cluster and interrogate thousands of MS/MS spectra and quickly identify the core fragment patterns causing groupings. This helps identify potential functional properties of components based on core chemical backbones of a larger class, even when the individual metabolite of interest is not found in public databases.

For more information, please find the main documentation at https://github.com/ccdmb/BioDendro.