{ "conformsTo": "https://project-open-data.cio.gov/v1.1/schema", "dataset": [ { "publisher": { "@type": "org:Organization", "name": "U.S. EPA Office of Research & Development (ORD) - National Center for Computational Toxicology (NCCT)" }, "accessLevel": "public", "description": "Background: Chemical toxicity testing is being transformed by advances in biology and computer modeling, concerns over animal use and the thousands of environmental chemicals lacking toxicity data. EPA's ToxCast program aims to address these concerns by screening and prioritizing chemicals for potential human toxicity using in vitro assays and in silico approaches. Objectives: This project aims to evaluate the use of in vitro assays for understanding the types of molecular and pathway perturbations caused by environmental chemicals and to build initial prioritization models of in vivo toxicity. Methods: We tested 309 mostly pesticide active chemicals in 467 assays across 9 technologies, including high-throughput cell-free assays and cell-based assays in multiple human primary cells and cell lines, plus rat primary hepatocytes. Both individual and composite scores for effects on genes and pathways were analyzed. Results: Chemicals display a broad spectrum of activity at the molecular and pathway levels. Many expected interactions are seen, including endocrine and xenobiotic metabolism enzyme activity. Chemicals range in promiscuity across pathways, from no activity to affecting dozens of pathways. We find a statistically significant inverse association between the number of pathways perturbed by a chemical at low in vitro concentrations and the lowest in vivo dose at which a chemical causes toxicity. We also find associations between a small set in vitro assays and rodent liver lesion formation. 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The database currently includes biomonitoring exposure data from three studies: the American Healthy Homes Survey, the First National Environmental Health Survey of Child Care Centers and the Children's Total Exposure to Persistent Pesticides and Other Persistent Organic Pollutants study. Data include the amounts of chemicals found in food, drinking water, air, dust indoor surfaces and urine. The database will eventually include high-throughput exposure predictions for thousands of chemicals based on manufacture and use information. EPA researchers developed high-throughput exposure models to predict exposures for 1,763 chemicals using production volume, environmental fate and transport models, and a simple indicator of consumer product use.The model is being improved by adding more refined indoor and consumer use information since these are also large determinants of exposure. As these models are refined and more exposure data is collected, it will be added to ExpoCastDB.", "keyword": [ "chemical safety", "chemical safety research", "chemicals", "chemical testing", "innovative chemical testing", "computational toxicology", "chemical screening", "toxcast", "tox21", "epa research", "chemical health effects", "consumer product", "consumer product database", "chemical exposure", "expocast", "high-throughput exposure prediction", "wal-mart data", "environment", "environment", "united states", "environment" ], "title": "Exposure Forecaster", "issued": "2014-04-01", "modified": "2014-04-01", "dataQuality": false, "bureauCode": [ "020:00" ], "references": [ "https://edg.epa.gov/metadata/rest/document?id=%7B33778226-2C82-4EFE-A310-1225F2911A07%7D", "https://edg.epa.gov/metadata/catalog/search/resource/details.page?uuid=%7B33778226-2C82-4EFE-A310-1225F2911A07%7D" ], "accrualPeriodicity": "irregular", "spatial": "-180.0,18.0,-66.0,72.0", "programCode": [ "020:072" ], "license": "https://edg.epa.gov/EPA_Data_License.html", "contactPoint": { "hasEmail": "mailto:wambaugh.john@epa.gov", "@type": "vcard:Contact", "fn": "John Wambaugh, U.S. EPA Office of Research & Development (ORD) - National Center for Computational Toxicology (NCCT)" }, "identifier": "33778226-2C82-4EFE-A310-1225F2911A07", "@type": "dcat:Dataset" }, { "publisher": { "@type": "org:Organization", "name": "U.S. EPA Office of Research & Development (ORD) - National Center for Computational Toxicology (NCCT)" }, "accessLevel": "public", "description": "The Distributed Structure Searchable Toxicity (DSSTox) online resource provides high quality chemical structures and annotations in association with toxicity data. It helps to build a data foundation for improved structure-activity relationships and predictive toxicology. DSSTox publishes summarized chemical activity representations for structure-activity modeling and provides a structure browser. This tool also houses the chemical inventories for the ToxCast and Tox21 projects.", "keyword": [ "chemical safety", "chemical safety research", "chemicals", "chemical testing", "innovative chemical testing", "computational toxicology", "chemical screening", "toxcast", "tox21", "epa research", "chemical health effects", "animal toxicity data", "animal toxicity", "animal studies", "chemical structure", "chemical annotations", "structure activity", "qsar", "dsstox", "distributed structure searchable toxicity", "epa", "environment", "environment", "united states", "environment" ], "title": "Distributed Structure Searchable Toxicity", "issued": "2014-04-01", "modified": "2014-04-01", "dataQuality": false, "bureauCode": [ "020:00" ], "references": [ "https://edg.epa.gov/metadata/rest/document?id=%7B0E749283-2A82-489B-A90D-067686928631%7D", "https://edg.epa.gov/metadata/catalog/search/resource/details.page?uuid=%7B0E749283-2A82-489B-A90D-067686928631%7D" ], "accrualPeriodicity": "irregular", "spatial": "-180.0,18.0,-66.0,72.0", "programCode": [ "020:072" ], "license": "https://edg.epa.gov/EPA_Data_License.html", "contactPoint": { "hasEmail": "mailto:richard.ann@epa.gov", "@type": "vcard:Contact", "fn": "Ann Richard, U.S. EPA Office of Research & Development (ORD) - National Center for Computational Toxicology (NCCT)" }, "identifier": "0E749283-2A82-489B-A90D-067686928631", "@type": "dcat:Dataset" }, { "publisher": { "@type": "org:Organization", "name": "U.S. EPA Office of Research & Development (ORD) - National Center for Computational Toxicology (NCCT)" }, "accessLevel": "public", "description": "The Chemical and Product Categories database (CPCat) catalogs the use of over 40,000 chemicals and their presence in different consumer products. The chemical use information is compiled from multiple sources while product information is gathered from publicly available Material Safety Data Sheets (MSDS). EPA researchers are evaluating the possibility of expanding the database with additional product and use information.", "keyword": [ "sample", "chemical safety", "chemical safety research", "chemicals", "chemical testing", "innovative chemical testing", "computational toxicology", "chemical screening", "toxcast", "tox21", "epa research", "chemical science", "chemical health effects", "consumer product", "consumer product database", "chemical exposure", "expocast", "high-throughput exposure prediction", "wal-mart data", "epa", "environment", "environment", "united states", "environment" ], "title": "Consumer Product Category Database", "issued": "2014-04-01", "modified": "2014-04-01", "dataQuality": false, "bureauCode": [ "020:00" ], "references": [ "https://edg.epa.gov/metadata/rest/document?id=%7B90CDFB11-E94E-4E84-942C-5B3D2B5ED0CD%7D", "https://edg.epa.gov/metadata/catalog/search/resource/details.page?uuid=%7B90CDFB11-E94E-4E84-942C-5B3D2B5ED0CD%7D" ], "accrualPeriodicity": "irregular", "spatial": "-180.0,18.0,-66.0,72.0", "programCode": [ "020:072" ], "license": "https://edg.epa.gov/EPA_Data_License.html", "contactPoint": { "hasEmail": "mailto:judson.richard@epa.gov", "@type": "vcard:Contact", "fn": "Richard Judson, U.S. EPA Office of Research & Development (ORD) - National Center for Computational Toxicology (NCCT)" }, "identifier": "90CDFB11-E94E-4E84-942C-5B3D2B5ED0CD", "@type": "dcat:Dataset" }, { "publisher": { "@type": "org:Organization", "name": "U.S. EPA Office of Research & Development (ORD) - National Center for Computational Toxicology (NCCT)" }, "accessLevel": "public", "description": "EPA researchers have been using advances in computational toxicology to address lack of data on the thousands of chemicals. EPA released chemical data on 1,800 chemicals. The 1,800 chemicals were screened in more than 800 rapid, automated tests (called high-throughput screening assays) to determine potential human health effects. The data is available through the interactive Chemical Safety for Sustainability Dashboards (iCSS dashboard) and the complete data sets are also available for download.", "keyword": [ "chemical safety", "chemical safety research", "chemicals", "chemical testing", "innovative chemical testing", "computational toxicology", "chemical screening", "toxcast", "actor", "chemical health effects", "chemical science", "epa research", "high-throughput data", "in vitro data", "tox21", "environment", "environment", "united states", "environment" ], "title": "Interactive Chemical Safety for Sustainablity Toxicity Forecaster Dashboard", "issued": "2014-04-01", "modified": "2014-04-01", "dataQuality": false, "bureauCode": [ "020:00" ], "references": [ "https://edg.epa.gov/metadata/catalog/search/resource/details.page?uuid=%7B9E05E004-0752-4881-B1EF-27456E0EE6CA%7D", "https://edg.epa.gov/metadata/rest/document?id=%7B9E05E004-0752-4881-B1EF-27456E0EE6CA%7D" ], "accrualPeriodicity": "irregular", "spatial": "-180.0,18.0,-66.0,72.0", "programCode": [ "020:072" ], "license": "https://edg.epa.gov/EPA_Data_License.html", "contactPoint": { "hasEmail": "mailto:martin.matt@epa.gov", "@type": "vcard:Contact", "fn": "Matt Martin, U.S. EPA Office of Research & Development (ORD) - National Center for Computational Toxicology (NCCT)" }, "identifier": "9E05E004-0752-4881-B1EF-27456E0EE6CA", "@type": "dcat:Dataset" }, { "publisher": { "@type": "org:Organization", "name": "U.S. EPA Office of Research & Development (ORD) - National Center for Computational Toxicology (NCCT)" }, "accessLevel": "public", "description": "Aggregated Computational Toxicology Online Resource (AcTOR) is EPA's online aggregator of all the public sources of chemical toxicity data. ACToR aggregates data from over 1,000 public sources on over 500,000 chemicals and is searchable by chemical name, other identifiers and by chemical structure. It can be used to query a specific chemical and find all publicly available hazard, exposure and risk assessment data. It also provides access to EPA's ToxCast, ToxRefDB, DSSTox, Dashboard and DSSTox data.", "keyword": [ "chemical safety", "chemical safety research", "chemicals", "chemical testing", "innovative chemical testing", "computational toxicology", "chemical screening", "toxcast", "tox21", "epa research", "chemical science", "chemical health effects", "animal toxicity", "animal toxicity data", "animal studies", "in vitro data", "epa", "environment", "environment", "united states", "environment" ], "title": "Aggregated Computational Toxicology Online Resource", "issued": "2014-04-01", "modified": "2014-04-01", "dataQuality": false, "bureauCode": [ "020:00" ], "references": [ "https://edg.epa.gov/metadata/catalog/search/resource/details.page?uuid=%7B46942636-82FB-46BD-B044-52EFEC632D00%7D", "https://edg.epa.gov/metadata/rest/document?id=%7B46942636-82FB-46BD-B044-52EFEC632D00%7D" ], "accrualPeriodicity": "irregular", "spatial": "-180.0,18.0,-66.0,72.0", "programCode": [ "020:072" ], "license": "https://edg.epa.gov/EPA_Data_License.html", "contactPoint": { "hasEmail": "mailto:judson.richard@epa.gov", "@type": "vcard:Contact", "fn": "Richard Judson, U.S. EPA Office of Research & Development (ORD) - National Center for Computational Toxicology (NCCT)" }, "identifier": "46942636-82FB-46BD-B044-52EFEC632D00", "@type": "dcat:Dataset" }, { "publisher": { "@type": "org:Organization", "name": "U.S. EPA Office of Research & Development (ORD) - National Center for Computational Toxicology (NCCT)" }, "accessLevel": "public", "description": "Background: Chemical toxicity testing is being transformed by advances in biology and computer modeling, concerns over animal use and the thousands of environmental chemicals lacking toxicity data. EPA's ToxCast program aims to address these concerns by screening and prioritizing chemicals for potential human toxicity using in vitro assays and in silico approaches. Objectives: This project aims to evaluate the use of in vitro assays for understanding the types of molecular and pathway perturbations caused by environmental chemicals and to build initial prioritization models of in vivo toxicity. Methods: We tested 309 mostly pesticide active chemicals in 467 assays across 9 technologies, including high-throughput cell-free assays and cell-based assays in multiple human primary cells and cell lines, plus rat primary hepatocytes. Both individual and composite scores for effects on genes and pathways were analyzed. Results: Chemicals display a broad spectrum of activity at the molecular and pathway levels. Many expected interactions are seen, including endocrine and xenobiotic metabolism enzyme activity. Chemicals range in promiscuity across pathways, from no activity to affecting dozens of pathways. We find a statistically significant inverse association between the number of pathways perturbed by a chemical at low in vitro concentrations and the lowest in vivo dose at which a chemical causes toxicity. We also find associations between a small set in vitro assays and rodent liver lesion formation. 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