The Distributed Structure-Searchable Toxicity (DSSTox) Database Network provides a public forum for search and publishing downloadable, structure-searchable, standardized chemical structure files associated with toxicity data.

The Distributed Structure-Searchable Toxicity (DSSTox) Database Network provides a public forum for search and publishing downloadable, structure-searchable, standardized chemical structure files associated with toxicity data.

The contents of the chemistry database, presently containing ~ 760,000 substances, are available as public domain data for download. The chemistry content underpinning the Dashboard has been aggregated over the past 15 years by both manual and auto-curation techniques within EPA’s DSSTox project.These data include physicochemical, environmental fate and transport, exposure, usage, in vivo toxicity, and in vitro bioassay data, surfaced through an integration hub with link-outs to additional EPA data and public domain online resources. This dataset is associated with the following publication: Williams, A., C. Grulke, J. Edwards, A. McEachran, K. Mansouri, N. Baker, G. Patlewicz, I. Shah, J. Wambaugh, R. Judson, and A. Richard. (Journal of Cheminformatics) The CompTox Chemistry Dashboard - A Community Data Resource for Environmental Chemistry. Journal of Cheminformatics. Springer, New York, NY, USA, 9(61): 1-27, (2017).

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.

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.

Here we describe the development of an automated KNIME workflow to curate and correct errors in the structure and identity of chemicals using the publically available PHYSPROP physico-chemical properties and environmental fate datasets. The workflow first assembles structure-identity pairs using up to four provided chemical identifiers, including chemical name, CASRNs, SMILES, and MolBlock. Problems detected included errors and mismatches in chemical structure formats, identifiers, and various structure validation issues, including hypervalency and stereochemistry descriptions. Subsequently, a machine learning procedure was applied to evaluate the impact of this curation process. The performance of QSAR models built on only the highest quality subset of the original dataset was compared to the larger curated and corrected data set. The latter showed statistically improved predictive performance. The final workflow was used to curate the full list of PHYSPROP datasets, and is being made publically available for further usage and integration by the scientific community. This dataset is associated with the following publication: Mansouri, K., C. Grulke, A. Richard, R. Judson, and A. Williams. (SAR AND QSAR IN ENVIRONMENTAL RESEARCH) An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modeling. SAR AND QSAR IN ENVIRONMENTAL RESEARCH. Taylor & Francis, Inc., Philadelphia, PA, USA, 27(11): 911-937, (2016).

환경영향평가 및 사후환경영향조사 수질정보(농약조사정보) 조사값* 데이터의 [조사구분(IVSTG_GB_CD)]는"공지사항>자료"메뉴의 2번 "환경평가 모니터링 및 활용데이터 개방 DB_코드정의서(2021.07.01기준)"문건의 첨부파일을 참조해 주세요. 실제 골프장 등 사업에 사용되는 농약류 항목의 통계 및 수계에 잔존하는 오염물질의 종류 및 농도 등에 관한 통계자료로 활용

This Feature Layer Collection contains publicly shared data from Envirostor, the Department of Toxic Substances Control's Project Management Solution. The data includes Cleanup Sites, Hazardous Waste Sites, and Inspection, Compliance and Enforcement sites. Cleanup Sites: DTSC conducts and supervises investigation and cleanup actions at sites where oil or hazardous chemicals have been or may be released into the environment. Cleanup activities take place at active and abandoned waste sites, federal and state facilities and properties, and where any storage tanks have leaked. DTSC, federal and other state agencies or municipalities, or the company or party responsible for the contamination may perform cleanups. Cleanup can also include site reuse and redevelopment. Hazardous Waste Sites: Hazardous waste management facilities receive hazardous wastes for treatment, storage or disposal. These facilities are often referred to as treatment, storage and disposal facilities, or TSDFs, and their activities are described in more detail below: Treatment - Using various processes, such as incineration or oxidation, to alter the character or composition of hazardous wastes. Some treatment processes enable waste to be recovered and reused in manufacturing settings, while other treatment processes dramatically reduce the amount of hazardous waste. Storage - Temporarily holding hazardous wastes until they are treated or disposed. Hazardous waste is commonly stored prior to treatment or disposal, and must be stored in containers, tanks, containment buildings, drip pads, waste piles, or surface impoundments that comply with the Resource Conservation and Recovery Act (RCRA) regulations. Disposal - Permanently containing hazardous wastes. The most common type of disposal facility is a landfill, where hazardous wastes are disposed of in carefully constructed units designed to protect groundwater and surface water resources. ICE Sites: The Department of Toxic Substances Control (DTSC) regulates the generation, transportation, treatment, storage, and disposal of hazardous wastes. DTSC monitors compliance with state and federal hazardous waste requirements by conducting inspections. DTSC works to ensure compliance with environmental requirements. When warranted, DTSC will take civil or criminal enforcement action against violators of environmental laws. DTSC provides compliance incentives and auditing to encourage facilities to find and disclose violations to the Agency. Violations may also be discovered from tips/complaints received by the Agency from the public. Violations discovered as a result of any of these activities may lead to civil or criminal enforcement. This data is a geospatial representation of data found at https://www.envirostor.dtsc.ca.gov/public/. This dataset is updated daily.

We used systematic evidence map methods to summarize the available epidemiological and animal bioassay evidence for an expanded set of ~345 PFAS that were prioritized in 2019 by the EPA’s Center for Computational Toxicology and Exposure (CCTE) for in vitro toxicity and toxicokinetic screening. This work builds upon our previously published evidence map for ~150 PFAS chemicals (Carlson et al. 2022, https://doi.org/10.1289/EHP10343). This dataset is associated with the following publication: Shirke, A., E. Radke-Farabaugh, C. Lin, R. Blain, N. Vetter, c. lemeris, p. hartman, H. Hubbard, M. Angrish, X. Arzuaga Andino, J. Congleton, J. Davis, L. Dishaw, R. Jones, R. Judson, J. Kaiser, A. Kraft, L. Lizarraga, P. Noyes, G. Patlewicz, M. Taylor, A. Williams, K. Chialton, and L. Carlson. Expanded Systematic Evidence Map for Hundreds of Per- and Polyfluoroalkyl Substances (PFAS) and Comprehensive PFAS Human Health Dashboard. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, USA, 132(2): CID: 026001, (2024).