The Toxicity Reference Database (ToxRefDB) contains approximately 30 years and $2 billion worth of animal studies. ToxRefDB allows scientists and the interested public to search and download thousands of animal toxicity testing results for hundreds of chemicals that were previously found only in paper documents. Currently, there are 474 chemicals in ToxRefDB, primarily the data rich pesticide active ingredients, but the number will continue to expand.

TOXNET is a group of databases hosted by the National Library of Medicine containing factual information related to the toxicity and other hazards of chemicals. They are structured around chemical records.

 There are four basic groupings of TOXNET databases. Within each of these
 groupings are one or more databases. The first grouping is Toxicology Data
 including factual information on toxicity and other hazards of chemicals. The
 databases included in Toxicology Databases are the following four - Hazardous
 Substances Data Bank (HSDB) providing broad scope in human and animal toxicity,
 safety and handling, environmental fate, and more. Scientifically
 peer-reviewed; the Integrated Risk Information System (IRIS) providing Data
 from the Environmental Protection Agency (EPA) in support of human health risk
 assessment. It, focuses on identifying hazards and assessing the connection
 between dose and response; Chemical Carcinogenesis Research Information System
 (CCRIS) providing carcinogenicity, mutagenicity, tumor promotion, and tumor
 inhibition data provided by the National Cancer Institute (NCI) and GENE-TOX
 providing peer-reviewed mutagenicity test data from the EPA.

 The second grouping is Toxicology Literature. These TOXNET databases contain
 bibliographic information with citations to the scientific literature. You can
 use this information to locate the article in a journal. Many provide
 hyperlinks to Medical Subject Headings (MESH) and other keywords. The
 databases included in Toxicology Literature are the following three - TOXLINE,
 providing an extensive array of references to literature on biochemical,
 pharmacological, physiological, and toxicological effects of drugs and other
 chemicals; Environmental Mutagen Information Center (EMIC) providing current
 and older literature on agents tested for genotoxic activity and Developmental
 and Reproductive Toxicology (DART) and Environmental Teratology Information
 Center (ETIC) providing current and older literature on developmental and
 reproductive toxicology.

 The third grouping is the Toxic Release Information which includes just The
 Toxics Release Inventory (TRI) database created by the Environmental Protection
 Agency and contains data on the estimated quantities of chemicals released to
 the environment or transferred off-site for waste treatment. TRI also holds
 information related to source reduction and recycling. Data for the most recent
 and two prior reporting years is currently available. This particular TRI
 database includes the years 1995 to 1999.

 The fourth grouping is Chemical Information. Chemicals are identified in a
 number of ways, including by name and structural diagram. Using a dictionary or
 a thesaurus can help you find information for a particular substance. SIS
 maintains several chemical online resources to help you determine the identity
 of a substance and point you to files or resources of interest. There are three
 databases within this grouping. The first is ChemIDplus providing Numerous
 chemical synonyms, structures, regulatory list information, and links to other
 databases containing information about the chemicals; HSDB Structures providing
 2D and 3D structural information on the HSDB chemicals and NCI-3D providing 2D
 and 3Dstructural information on compounds tested for anti-tumor activity
 compiled by the National Cancer Institute.

 The TOXNET Basic Search screens are intuitive and straightforward. Most screens
 (except for the TRI database) allow you to place all query information in a
 single input box. For example, you may be looking for a chemical name, a
 particular author, a CAS Registry Number, or any type of concept term. You may
 enter any combination of these into the single input box. In some databases,
 you may also limit your search by author, title or dates.

Hazardous Substances Data Bank (HSDB) was a toxicology database that focused on the toxicology of potentially hazardous chemicals. It provided information on human exposure, industrial hygiene, emergency handling procedures, environmental fate, regulatory requirements, nanomaterials, and related areas. The information in HSDB has been assessed by a Scientific Review Panel. This version of HSDB data includes a subset of HSDB for downloading, but is no longer updated. HSDB data has been incorporated into PubChem.

This tool is intended to aid individuals interested in learning more about chemicals that are manufactured or imported into the United States. Health and safety information on these chemicals, primarily in the form of paper documents, are routinely submitted by industry (manufacturers or importers of chemicals) to EPA under the Toxic Substances Control Act (TSCA). EPA is in the process of converting these documents into electronic form and making non-confidential versions of these documents accessible through this tool. The tool enables users to conduct both full text and metadata searches of these documents, and presents these as .pdf for viewing or downloading. The tool also queries existing EPA legacy database sources of chemical information and presents these data in a consistent format.

Abstract

Toxic intensities and risk for 246 Toxic Release Inventory (TRI) chemicals. Similar to the IPPS data, these intensities can be used to estimate toxic chemical load given employment, value of output, or value added.

The ToxInt database has been produced by the World Bank's Economics of Industrial Pollution research team, in collaboration with the Center for Economic Studies of the U.S. Census Bureau http://www.census.gov/. The dataset provides pollution intensities and the corresponding toxic risks for 246 chemicals in the U.S. EPA’s Toxic Release Inventory http://go.worldbank.org/QQREY33ET0 (TRI).

The IPPS project has aimed to establish initial benchmarks of pollution intensity and toxic risk in manufacturing sectors in the developing world. We have always assumed that further and more detailed analysis would refine, and in some cases alter, these first-order attempts to understand magnitudes of environmental degredation and health risk. Some colleagues in academia have expressed concern about the IPPS's reliance on acute toxicity measures to the exclusion of chronic toxicity measures, and its use of mass-only measures to identify environmental risk by chemical. For our part, we believe that IPPS should be viewed as a useful tool, rather than a final answer, for those involved in international risk assessment work.

The U.S. EPA has also been seeking to incorporate chemical risk assessment into its project work. The EPA maintains an Integrated Risk Information System (IRIS) http://www.epa.gov/ngispgm3/iris/index.html database on human health effects that may result from exposure to various chemicals in the environment. IRIS was initially developed for EPA staff, in response to a growing demand for consistent information on chemical substances for use in risk assessments, decision-making and regulatory activities. The information in IRIS is intended for those without extensive training in toxicology, but with some knowledge of health sciences.

EPA's Sector Facility Indexing Project (SFIP) provides another approach to risk assessment. The SFIP couples emissions data from the Toxics Release Inventory (TRI) with toxicity weighting factors. The result is an index which accounts for both emissions volume and risk in assessing toxic pollution. On April 29, 1997, a Subcommittee of the EPA's Science Advisory Board's Environmental Engineering Committee met to review the technical aspects of the SFIP. To learn more about this and other aspects of the EPA's current work on chemical risk, please visit them at http://www.epa.gov/science1/pifs.htm.

Kind of data

Aggregate data [agg]

Mode of data collection

Other [oth]

Human exposure to toxic chemicals presents a huge health burden. Key to understanding chemical toxicity is knowledge of the molecular target(s) of the chemicals. Because a comprehensive safety assessment for all chemicals is infeasible due to limited resources, a robust computational method for discovering targets of environmental exposures is a promising direction for public health research. In this study, we implemented a novel matrix completion algorithm named coupled matrix–matrix completion (CMMC) for predicting direct and indirect exposome-target interactions, which exploits the vast amount of accumulated data regarding chemical exposures and their molecular targets. Our approach achieved an AUC of 0.89 on a benchmark data set generated using data from the Comparative Toxicogenomics Database. Our case studies with bisphenol A and its analogues, PFAS, dioxins, PCBs, and VOCs show that CMMC can be used to accurately predict molecular targets of novel chemicals without any prior bioactivity knowledge. Our results demonstrate the feasibility and promise of computationally predicting environmental chemical-target interactions to efficiently prioritize chemicals in hazard identification and risk assessment.

List of Prohibited Operations of Toxic Chemicals..

Facilities that store hazardous chemicals and counts of chemicals stored at each facility where the chemical stored pose a fire, reactivity, or sudden release of pressure hazard. This dataset is updated nightly from the CalEPA Regulated Site Portal. More information regarding this dataset can be found here.

Facilities that store hazardous chemicals and counts of chemicals stored at each facility where the chemical stored poses a reactivity hazard. This dataset is updated nightly from the CalEPA Regulated Site Portal. More information regarding this dataset can be found here.

Data were created from Tennessee National Toxic Substance Incidents Program (NTSIP) database. Tennessee’s NTSIP performs acute chemical incidents surveillance. Since 2010, data have been aggregated from the National Response Center, Tennessee Emergency Management Agency, U.S. Department of Transportation, Tennessee Meth & Pharmaceutical Task Force, law enforcement records, and media reports. Usually within 48 hours, incident information was entered into the (national) database. Qualifying incidents according to the specifications of National Toxic Substance Incidents program (http://tn.gov/health/article/ntsip). This dataset was extracted from the Tennessee National Toxic Substance Incidents Program database. To learn more about the qualifying incidents and chemicals, please read the following documents:http://health.tn.gov/Environmental/PDFs/NTSIP/Event_Definition.pdfhttp://health.tn.gov/Environmental/PDFs/NTSIP/Chemicals.pdfATSDR’s Geospatial Research, Analysis & Services Program (GRASP) has created a tool to help public health officials and emergency response planners identify and map the communities that will most likely need support before, during, and after a hazardous event. The Social Vulnerability Index (SVI) indicates the relative vulnerability of every U.S. Census tract. Census tracts are subdivisions of counties for which the U.S. Census collects statistical data. The SVI ranks the tracts on 14 social factors, including; unemployment, lack of vehicle access, crowded housing, then further groups them into four related themes. Thus, each tract receives a ranking for each Census variable and for each of the four themes - as well as an overall ranking.

HSDB is a toxicology data file on the National Library of Medicine's (NLM) Toxicology Data Network (TOXNET). It focuses on the toxicology of potentially hazardous chemicals. It is enhanced with information on human exposure, industrial hygiene, emergency handling procedures, environmental fate, regulatory requirements, and related areas. All data are referenced and derived from a core set of books, government documents, technical reports and selected primary journal literature. HSDB is peer-reviewed by the Scientific Review Panel (SRB) a committee of experts in the major subject areas within the data bank's scope. HSDB is organized into individual chemical records, and contains over 4500 such records.

 Users can search by chemical or other name, chemical name fragment, Chemical
 Abstracts Service Registry Number (RN), and/or subject terms. Search results
 can easily be viewed, printed or downloaded. Search results are displayed in
 relevancy ranked order. Users may select to display exact term matches,
 complete records, or any combination of data from the groupings listed in the
 keyword section.

 Users can easily conduct their HSDB search strategy against other databases:
 Chemical Carcinogenesis Research Information System, Integrated Information
 System, and GENE-TOX.

List of toxic chemicals subject to announcement and management of their use

Facilities that store hazardous chemicals and counts of chemicals stored at each facility where the chemical stored pose a fire, reactivity, or sudden release of pressure hazard. This dataset is updated nightly from the CalEPA Regulated Site Portal. More information regarding this dataset can be found here.

The Food Contact Chemicals database (FCCdb) is a compilation of information on intentionally added food contact chemicals, extracted from publicly available sources such as legislation on food contact materials and industry inventories for different types of food contact materials. Where available, information from a few selected sources on hazardous properties and commercial use has been included as well. Further details on the information sources used are given in the READ ME worksheet of the excel file. The FCCdb intends to provide an overview of the diversity of food contact chemicals and their hazardous properties. Further details on the compilation and analysis of this dataseta can be found in the manuscript "Overview of intentionally used food contact chemicals and their hazards," by Ksenia J. Groh, Birgit Geueke, Olwenn Martin, Maricel Maffini, and Jane Muncke, published in Environmental International on November 30, 2020 (DOI 10.1016/j.envint.2020.106225).

Facilities that store hazardous chemicals and counts of chemicals stored at each facility where the chemical stored poses a fire hazard. This dataset is updated nightly from the CalEPA Regulated Site Portal. More information regarding this dataset can be found here.

Occupational health database designed for health and safety professionals and for consumers seeking information about the adverse effects of workplace exposures to chemical and biological agents. The main links in Haz-Map are between chemicals and occupational diseases. These links have been established using current scientific evidence. Haz-Map shows the diseases linked to each agent and the agents linked to each disease. Agents are chemical such as formaldehyde, or biological such as grain dust. Haz-Map links jobs and hazardous job tasks with occupational diseases and their symptoms. In Haz-Map, chronic occupational diseases are linked to both jobs and industries, while acute diseases and infectious diseases are linked only to jobs. Cancers are not linked to jobs, industries or findings. The information in Haz-Map comes from textbooks, journal articles, the Documentation of the Threshold Limit Values (published by ACGIH), and electronic databases such as NLM's Hazardous Substances Data Bank (HSDB). Haz-Map staff classifies, summarizes, and regularly updates the information found in the database.

toxric_30_datasets.zip: The expanded predictive toxicology dataset is sourced from TOXRIC, a comprehensive and standardized toxicology database. The toxric_30_datasets contains 30 assay datasets with ~150,000 measurements related to five categories. These categories span a range of toxicity assessment, including genetic toxicity, organic toxicity, clinical toxicity, developmental and reproductive toxicity, and reactive toxicity. multiple_endpoint_acute_toxicity_dataset.zip & all_descriptors.txt: This 59-endpoint acute toxicity dataset is sourced from TOXRIC. It includes 59 various toxicity endpoints with 80,081 unique compounds represented using SMILES strings, and 122,594 usable toxicity measurements described by continuous values with a unified toxicity chemical unit: -log(mol/kg). The larger the measurement value, the stronger the toxicity intensity of the corresponding compound towards a certain endpoint. The 59 acute toxicity endpoints involve 15 different species including mouse, rat, rabbit, guinea pig, dog, cat, bird wild, quail, duck, chicken, frog, mammal, man, women, and human, 8 different administration routes including intraperitoneal, intravenous, oral, skin, subcutaneous, intramuscular, parenteral, and unreported, and 3 different measurement indicators including LD50 (lethal dose 50%), LDLo (lethal dose low), and TDLo (toxic dose low). In this dataset, each compound only has toxicity measurement values concerning a small number of toxicity endpoints, so this dataset is very sparse with nearly 97.4% of compound-to-endpoint measurements missing. Meanwhile, this dataset is also extremely data-unbalanced with some endpoints having tens of thousands of toxicity measurements available, e.g., mouse-intraperitoneal-LD50 has 36,295 measurements, mouse-oral-LD50 has 23,373 measurements, and rat-oral-LD50 has 10,190 measurements, etc, while some endpoints contain only around 100 measurements like mouse-intravenous-LDLo, rat-intravenous-LDLo, frog-subcutaneous-LD50, and human-oral-TDLo, etc. The sparsity and unbalance of this dataset present acute toxicity evaluation as a challenging issue. Among the 59 endpoints, 21 endpoints with less than 200 measurements were considered small-sized endpoints, and 11 endpoints with more than 1000 measurements were treated as large-sized endpoints. Three endpoints targeting humans, human-oral-TDLo, women-oral-TDLo, and man-oral-TDLo, are typical small-sized endpoints, with only 140, 156, and 163 available toxicity measurements, respectively (The acute toxicity intensity measurement values of the 80,081 compounds concerning 59 acute toxic endpoints, as well as the 5-fold random splits, were provided in the multiple_endpoint_acute_toxicity_dataset.zip. The molecular fingerprints or feature descripors of the 80,081 compounds, such as Avalon, Morgan, and AtomPair, were given in the all_descriptors.txt).115-endpoint_acute_toxiciy_dataset.zip: We collected more acute toxicity data of compounds from PubChem database through web crawling. We unified all the toxicity measurement units into -log(mol/kg) and retained the endpoints with no less than 30 available samples per endpoint. Thus, a brand-new acute toxicity dataset containing 115 endpoints was established. Compared with the previous 59-endpoint acute toxicity dataset from TOXRIC, the number of acute toxicity endpoints in this new dataset has doubled, adding more possible species (like goat, monkey, hamster, etc), administration routes (like intracerebral, intratracheal), and measurement indicators (like LD10, LD20). It should be emphasized that the sample imbalance among endpoints and the data missing rate of this dataset are more severe. Its sparsity rate reaches 98.7%, and it contains 68 small-sample acute toxicity endpoints (i.e., endpoints with less than 200 toxicity measurement data), among which the endpoint with the fewest samples has only 30 available measurement data. Therefore, this dataset is more challenging for all current acute toxicity prediction models.

Hazardous Substances Data Bank (HSDB) was a toxicology database that focused on the toxicology of potentially hazardous chemicals. While HSDB data has been incorporated into PubChem, this subset (2015 - 2019) is available for download for research and historical relevance.

HSDB provided information on human exposure, industrial hygiene, emergency handling procedures, environmental fate, regulatory requirements, nanomaterials, and related areas. The information in HSDB has been assessed by a Scientific Review Panel.

ToxRefDB was developed by the National Center for Computational Toxicology (NCCT) in partnership with EPA's Office of Pesticide Programs (OPP), to store data from in vivo animal toxicity studies. The database:

-Contains pesticide registration toxicity data that used to be stored as hard-copy and scanned documents by OPP. -Currently includes chronic, cancer, sub-chronic, developmental, and reproductive studies on hundreds of chemicals (many are pesticide active ingredients). -Provides data that is accessible and computable. -Provides reference toxicity data for Agency research and retrospective analyses. -Provides toxicity endpoints for development of ToxCast predictive signatures that will be used for primary research applications. -Contains only certain hazard information and does not represent all information needed for a complete risk assessment for pesticides or other chemicals. -Effect designation should not be taken as determination that existing EPA risk assessments and risk management decisions need revisions.

For example, in addition to studies in ToxRefDB, for purposes of registration or tolerance determination, EPA evaluated information on other mammalian toxicity effects, metabolism, aquatic life, wildlife and plant toxicity studies, and use patterns, environmental fate and persistence, and pesticide residue levels.

The Toxics Release Inventory (TRI) is a dataset compiled by the U.S. Environmental Protection Agency (EPA). It contains information on the release and waste management for over 800 toxic chemicals and toxic chemical categories as reported annually by facilities in certain industries as well as federal facilities. This inventory was established under the Emergency Planning and Community Right-to-Know Act of 1986 (EPCRA) and expanded by the Pollution Prevention Act of 1990. TRI data support informed decision-making by communities, government agencies, industries, and others.