CompTox Chemicals Dashboard: About
About
The CompTox Chemicals Dashboard is a part of a suite of databases and web applications developed by the U.S. Environmental Protection Agency (EPA). These databases and apps support EPA's research efforts to develop and apply new approach methods (NAMs). EPA researchers integrate advances in biology, bioinformatics, biotechnology, chemistry, and computer science to identify important biological processes that may be disrupted by chemicals. The combined information helps prioritize chemicals based on potential health risks. Using computational toxicology research methods, thousands of chemicals can be evaluated for potential risk at small cost in a very short amount of time.
The CompTox Chemicals Dashboard provides public access to chemical data. It is a widely used resource for chemistry, toxicity, and exposure information for over a million chemicals. The available data includes, but is not limited to, chemical properties, environmental fate and transport, hazard (e.g., point of departure, legacy toxicity values, screening levels, exposure limits), in vitro to in vivo extrapolation (IVIVE), exposure (e.g., predictions associated with the ExpoCast effort, use categories, toxic release inventory, monitoring data), bioactivity (e.g., high-throughput data from ToxCast and Tox21 efforts).
In addition, the Dashboard provides information on similar chemicals and related substances, chemical lists, links out to other reputable resources, including Open Source widgets and tools such as PubChem widgets for Bioactivities, Articles, and Patents, and links to tools such as the Generalize Read-Across tool (GenRA), the web-version of the Toxicity Estimation Software Tool (WebTEST), and a web-version of the Abstract Sifter.
The Distributed Structure-Searchable Toxicity (DSSTox) Database provides the chemical and chemistry foundation for the Dashboard. It provides chemical structure information, compiled and expertly quality-control checked chemicals, which come from public sources such as PubChem. These data have varying levels of reliability and accuracy, with links to the external resources. Expansion, curation, and validation of the content is ongoing.
Users can search the Dashboard by chemical identifiers, consumer product categories, and assays/genes associated with high-throughput screening data. The Dashboard provides unique capabilities including real time prediction of physicochemical properties and toxicological endpoints, batch searching for thousands of chemicals at a time, and advanced searching approaches to support non-targeted screening mass spectrometry research effort.
History
- August 2016: EPA released the CompTox Chemicals Dashboard
- 2016 - 2021: EPA released over 10 updates to the CompTox Chemicals Dashboard which added new data and functionality
- October 2021:EPA released an update to CompTox Chemicals Dashboard which included a new architecture for increased performance and improved maintenance capabilities
- Future Outlook: Plans for future CompTox Chemicals Dashboard releases include adding new curated data and functionality, which will be publicly available with regular releases. Future releases will also include public APIs for the community to programmatically access the data, as well as training resources to demonstrate to the community how to use the CompTox Chemicals Dashboard
Disclaimer
This resource is a compilation of information sourced from many sites, databases and sources, including U.S. Federal and state sources and international bodies. The data are not reviewed by USEPA - the user must apply judgment in use of the information. You should consult the original scientific paper or data source if possible to ensure an understanding of the context of the data contained in the Dashboard.
Reference herein to any specific commercial products, process, or service by trade name, trademark, manufacturer, or otherwise, does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government. The views and opinions of the developers of the site expressed herein do not necessarily state or reflect those of the United States Government, and shall not be used for advertising or product endorsement purposes
With respect to documents available from this server, neither the United States Government nor any of their employees, makes any warranty, express or implied, including the warranties of merchantability and fitness for a particular purpose, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights.
Reference
Should you use the CompTox Chemicals Dashboard to source information and data of value, please cite the app using the URL https://comptox.epa.gov/dashboard/ and refer to the version number, as well as the publication “The CompTox Chemistry Dashboard: a community data resource for environmental chemistry”. For referencing a particular chemical, the specific citation can be obtained on the “Details” page under the “Record Information” tab.
Data Sources
See latest Release Notes for more information about data sources included in the latest and previous versions of the Dashboard, including links to download available data.
| Data Source | Description | More information |
|---|---|---|
| DSSTox | Cheminformatics backbone of the CCTE’s ToxCast and the multi-agency Tox21 HTS screening programs. | About DSSTox |
| PhysChem and Environmental Fate/Transport Properties | Capture measured or predicted property data associated with a particular substance or list of chemicals. Example sources include: EPI Suite, OPERA, ACD Labs/PERCEPTA, WebTEST. | About Chemical Characterization |
| ToxValDB | Collection of animal (in vivo) toxicity study data. | About ToxValDB |
| invitroDB | Data generated by the ToxCast and Tox21 in vitro high-throughput screening (HTS) programs. | About Toxicity Forecasting |
| HTTr | Data generated using High Throughput Transcriptomics (HTTr). | About HTTr |
| HTPP | Data generated using High Throughput Phenotypic Profiling (HTPP). | About HTPP |
| Product & Use Categories | Consumer product and chemical use category information curated from public documents and included in the Chemicals and Products Database (CPDat). Data may not align with current bulk CPDat release. | About CPDat |
| Chemical Weight Fraction | Consumer product weight fraction information curated from public documents and included in the Chemicals and Products Database (CPDat). Data may not align with current bulk CPDat release. | About CPDat |
| Collected Data on Functional Use | Reported chemical functional use data curated from public documents and included in the Chemicals and Products Database (CPDat). Data may not align with current bulk CPDat release. | About CPDat |
| Predicted Probability of Associated Functional Use | Predicted functional uses using Quantitative Structure Use Relationship (QSUR) models. | Phillips et al. 2017 |
| Biomonitoring Data | Median general population daily intake rates (mg/kg BW/day) inferred from US CDC NHANES biomonitoring. | |
| Exposure Predictions | Consensus model predictions for daily intake rates (mg/kg BW/day) and contributing predictors such as models and chemical descriptors. | |
| Production Volume | The Production Volume data is sourced from the Chemical Data Reporting (CDR) data submitted to US-EPA. | About Chemical Data Reporting |
| HTTK | High throughput toxicokinetic (HTTK) predictions of chemical absorption, distribution, metabolism, and elimination (ADME) by the body based on either in vitro measurements or structure. | About HTTK |
| AOP | Assemblage of existing knowledge about biological events that lead to adverse health effects in human populations and ecosystems. | About Adverse Outcome Pathways |