Curating and Visualizing the Analytical Methods and the Open Spectral Database's Chemical Functional Use Taxonomy

Herein, we report on the development of a new Chemical Function Taxonomy (ChemFuncT), categorizing functional uses for over 21,000 chemicals that were programmatically aggregated from four publicly available sources. Thousands of sourced chemical categories were harmonized into a hierarchical taxonomy comprising approximately 300 classifications. The taxonomy was developed specifically to allow for annotation of documents hosted in EPA's Analytical Methods and Open Spectra (AMOS) database and web application. An interactive visualization integrated into the AMOS web interface facilitates user identification of both analytical methods and chemical fact sheets corresponding to chemical functional uses. Beyond analytical method discovery, ChemFuncT supports chemical exposure modeling and product safety assessment by providing structured classification data and streamlined identification of chemical functional roles.