Cheminformatics Analysis Modules Resource Hub
Cheminformatics analysis modules (CIM) 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 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 Analytical Methods and Open Spectral (AMOS) Database is a web-based application and underlying database developed by the U.S. EPA to provide access to documents associated with different analytical methods (e.g., regulatory, standard operating procedures, lab manuals, and peer-reviewed publications) and a database of spectral data associated with mass spectrometry.
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Access
Visit the Cheminformatics Analysis Modules.
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CIM User Guide
This guide offers step-by-step instructions to help with the Cheminformatics Analysis Modules.
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AMOS User Guide
This guide offers step-by-step instructions to help you access Analytical Methods and Open Spectral Database data and features.
Recent Publications
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)