Cheminformatics Analysis Modules Resource Hub
Cheminformatics analysis modules provide information on chemicals including high-quality chemical structures, experimental and predicted physicochemical properties, environmental fate and transport information, and appropriately linked toxicity data. This research improves the understanding of chemical fate and activity in both organisms (humans and wildlife) and the environment to support chemical safety decision making. The Cheminformatics analysis modules, including a Hazard Comparison Dashboard, enable users to search and compare a variety of chemical and hazard information to evaluate potential health effects of chemicals. These Cheminformatics modules are examples of online platforms being developed by the Center for Computational Toxicology and Exposure (CCTE) for EPA Program Offices, EPA Regions, and external stakeholders to use in order to provide feedback early in the development process prior to integration into production systems such as the CompTox Chemicals Dashboard.
The Hazard Module is based on alternatives assessment work, learn more: An automated framework for compiling and integrating chemical hazard data
The Hazard Comparison module is used in the following publication: Demonstrating the Use of Non-targeted Analysis for Identification of Unknown Chemicals in Rapid Response Scenarios
The Hazard Comparison module is used in the following assessment: An Alternatives Assessment for Use of Perchloroethylene (pdf)