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Categorized Lists of Databases for Systems Toxicology

The following list includes free on-line data sources and tools placed into categories based on source and content.

TOXNET Databases (Including Those with Direct Links from TOXNET)

TOXicology Data NETwork (ToxnET)12 is a central website hub with links to several toxicology data files that report on several chemicals, primarily those of toxicological and environmental concern. The breadth of information includes chemical nomenclature and current literature that gives evidence and/or speculation on a chemical’s toxicological effects.

  • • HSDB13 (Hazardous Substances Data Bank) Peer-reviewed toxicology data for >5000 hazardous chemicals. Data can be searched by relevance or filter by larger category groupings: human health effects, emergency medical treatment, animal toxicity studies, metabolism/pharmaco- kinetics, pharmacology, environmental fate/exposure, environmental standards & regulations, chemical/physical properties, chemical safety & handling, occupational exposure, standards, manufacturing/ use information, laboratory methods, special references, synonyms and identifiers, and administrative information. Additional features of HSDB include “review status tags” that indicate the level of quality review: peer reviewed, QC reviewed (quality control review that has not yet been officially reviewed), and un-reviewed (statements that do not necessarily need scientific review). A complete list of chemicals in the HSDB is available at html.
  • TOXLINE14 5 million references from specialized journals, government reports, meeting abstracts, and other relevant collections of toxicology information. The collection of information includes biochemical, pharmacological, physiological, and toxicological effects of drugs and other chemicals.
  • ChemIDPlus15,x6 Dictionary of >400 000 chemicals including names, synonyms, and structures; a chemical searching system generated from more than 100 sources. National Library of Medicine databases serve as its primary source of information; however, it also compiles information from the Canadian Domestic Substances List, European Inventory of existing Commercial Chemical substances (EINECs), environmental protection Agency (EpA) Toxic substances Control Act (TsCA) Chemical substance inventory, the supERLIsT set of regulatory resources, and other internet databases such as EpA substance Registry system, the Food and Drug Administration (FDA) Drugs@FDA system, international Agency for Research on Cancer (iARC), National institute of Allergy and infectious Diseases (NiAiD), and the National institute of standards and technology (NIsT) Chemistry WebBook. All chemicals are searchable by name, synonym, Chemical Abstracts service (CAs) registry number, molecular formula, classification code, locator code, structure, and/or physical properties. Two versions of ChemiDplus exist: ChemiDpluslite15 and ChemiDplusAdvanced.16 ChemiDpluslite provides chemical information searching and links to other resources. Unlike ChemiDplusAdvanced, ChemiDpluslite does not require plugins or applets. As such, ChemiDplusAdvanced has more advanced search capabilities. The default structure editor is Marvin for Javascript (Che- mAxon) that allows a user to download a single structure Mol file in ChemiDplus. This applet enables users to conduct advanced chemical structure queries (substructure search, similarity search, exact structure search, flex search, and flexplus search), and filter similar and substructure chemical scaffolds. structure descriptors include InChl™ (international Chemical identifier), inChiKey, and SMILES™ (simplified molecular input line entry system) notations, all of which may be downloaded. inChiKeys link to other search engines to find a structure in other systems. Both lite and Advanced ChemiDplus records are updated daily. Although ChemiDplus no longer supports Chime (it’s previous free chemical display application), another structure-drawing package, Accelrys Draw No Fee, is now publicly accessible.
  • LactMed17 drugs and lactation database lists drugs and other chemicals to which breastfeeding mothers may be exposed. it includes information on the levels of such substances in breastmilk and infant blood, and the possible adverse effects in the nursing infant. suggested therapeutic alternatives to those drugs are provided, where appropriate. All data are derived from the scientific literature and fully referenced.
  • DART1 Developmental and Reproductive Toxicology Database and references. it provides >200 000 journal references covering teratology and other aspects of developmental and reproductive toxicology. DART is created from a search profile using pubMed.
  • TOXMAP19 TOXMAp is a geographic information system from the Division of specialized information services of the Us National library of Medicine that uses maps of the United states to show the amount and location of toxic chemicals released into the environment. Users can visually explore data derived from the EpA's Toxics Release inventory (TRi), which provides information on the releases of toxic chemicals into the environment as reported annually by industrial facilities around the United States. TOXMAP also contains information from the EPA's superfund program, as well as some non-EPA datasets such as the US Census and National Cancer Institute health data.
  • TRI20 toxics Release inventory. annual environmental releases of more than 600 toxic chemicals by Us facilities as reported annually to the EpA by Us industrial and federal facilities. TRI's data reports, beginning with the 1987 reporting year, contain information about the types and amounts of toxic chemicals that are released each year to the air, water, land and by underground injection, as well as information on the quantities of toxic chemicals sent to other facilities for further waste management in agreement with the pollution prevention act of 1990, source reduction and recycling data are also included in TRI.
  • Household Products Database21 potential health effects of chemicals in >10 000 common household products. information is also available for some industrial-grade products. products can be searched by brand name, product type, manufacturer, ingredient/chemical, and by health effects. The record for each product shows the ingredients as reported by the manufacturer. For many products, a link to the manufacturer’s material safety data sheet is provided, which includes more information such as handling, disposal, and health effects.
  • Haz-Map22 Links jobs and hazardous tasks with occupational diseases and their symptoms, in which causality from chemical and/or biological agents has been established based on current scientific evidence.
  • IRIS23 Integrated Risk Information System. IRIS contains data in support of human health risk assessment, including hazard identification and dose- response assessments of more than 550 chemicals (as of mid-2014) that evaluate information on health effects (cancer and non-cancer) resulting from exposure to environmental contaminants. IRIS data are reviewed by EpA scientists several times a year and represents EpA consensus.
  • • ITER24 International Toxicity Estimates for Risk. Risk information for more than 600 chemicals of environmental concern from authoritative groups worldwide. ITER integrates data from Centers for Disease Control Agency for Toxic Substances and Disease Registry, Health Canada, RIVM, US EpA, IARC, NSF International, and independent parties offering peer-reviewed risk values. It is compiled by Toxicology Excellence for Risk Assessment (TERA) and its records that are updated multiple times a year. The Risk Information Exchange (RiskIE; http://www.alliance- is a companion database to ITER. It includes in-progress or recently completed risk assessment projects. RiskIE is a database of notifications about a variety of human health risk assessment projects that are underway or recently completed. projects listed on RiskIE are both chemical- and nonchemical-specific, and range from many types of risk value development to risk methods document development. RiskIE currently tracks >4000 in-progress or recently completed risk assessment projects conducted by 35 different organizations representing 13 different countries.
  • ALTBIB25 Resources on Alternatives to the Use of Live Vertebrates in Biomedical Research and Testing.
  • CCRIS26 Chemical Carcinogenesis research Information system. Carcinogenicity and mutagenicity test results for >8000 chemicals (no longer updated).
  • CPDB27 Carcinogenic potency Database. standardized analyses of the results of 6540 chronic, long-term animal cancer tests (no longer updated).
  • GENE-TOX28 Genetic toxicology Data Bank. peer-reviewed genetic toxicology test data for more than 3000 chemicals (no longer updated).
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