Gathers information on the sequence, structure, function, and pharmacology of spider-venom toxins. ArachnoServer is an online database that allows advanced searches of toxin information, browsing, as well as similarity searches using BLAST. Each toxin record is displayed in a single page and a toxin's structure can be dynamically visualized. This repository introduces a bioinformatics pipeline (named Tox|Note) that automatically identifies and analyzes toxins in assembled venom-gland transcriptomes.
Provides a public forum for publishing downloadable, structure-searchable, standardized chemical structure files associated with chemical inventories or toxicity data sets of environmental relevance. The standardized files allow one to assess, compare and search the chemical content in each resource, in the context of the larger DSSTox toxicology data network, as well as across large public cheminformatics resources such as PubChem.
Includes evidence-based information on drug, dietary supplement, and herbal-induced liver injury. LiverTox is designed for use by physicians and healthcare professionals who might rarely see patients with drug-induced liver injury, including family practitioners, internists, pediatricians, psychiatrists, surgeons, specialists, and subspecialists in all areas of medicine. The database consists of three major components: (1) an introductory and background section, (2) separate records on the hepatotoxicity of individual drugs, and (3) an interactive section that allows for submission and assessment of cases.
Stores compounds that were cited in the literature as bitter. BitterDB provides information regarding molecular properties, references for the compound’s bitterness, different compound identifiers, an indication whether the compound is derived from a natural source or is synthetic, a link to the compound’s PubChem entry and different file formats for downloading. It also offers a local BLAST service and a global alignment of the 25 human bitter taste receptors.
A collection of toxic compounds from literature and web sources. The current version of this database compiles about 60,000 compounds and their structures. These molecules are classified according to their toxicity, based on more than 2 million measurements. The SuperToxic database provides a variety of search options like name, CASRN, molecular weight and measured values of toxicity. With the aid of implemented similarity searches, information about possible biological interactions can be gained.
A resource for the comparison of fragments found in metabolites, drugs or toxic compounds. Starting from 13,000 metabolites, 16,000 drugs and 2200 toxic compounds we generated 35,000 different building blocks (fragments), which are not only relevant to their biosynthesis and degradation but also provide important information regarding side-effects and toxicity.
A web-based platform that aims to automate and simplify the typical steps required for QSAR modeling. The platform consists of two major subsystems: the database of experimental measurements and the modeling framework. A user-contributed database contains a set of tools for easy input, search and modification of thousands of records. The OCHEM database is based on the wiki principle and focuses primarily on the quality and verifiability of the data. The database is tightly integrated with the modeling framework, which supports all the steps required to create a predictive model: data search, calculation and selection of a vast variety of molecular descriptors, application of machine learning methods, validation, analysis of the model and assessment of the applicability domain.
Ranks the drug-induced liver injury (DILI) risk in humans for over 1000 food and drug administration (FDA)-approved drugs. DILIrank is an online resource that can be used for analyzing the landscape of DILI risk in therapeutic classes associated with FDA-approved drugs. Moreover, this resource is categorized according four categories intending to represent their potential for causing DILI.
Provides a benchmark dataset with more than 280 drugs representing a wide range of therapeutic categories and daily dosage amounts. LTKB aims to develop content-rich resources to improve the basic understanding of liver toxicity. It can be used by scientific researchers, pharmaceutical industry, and regulatory bodies. The database offers a way to develop novel biomarkers based on knowledge accumulated.
Provides a platform allowing access to information related to chemical substances. CompTox Chemistry Dashboard is a repository applying both manual and algorithmic curation techniques for compiling data from various public datasets, such as the U.S. Environmental Protection Agency (EPA) Substance Registry Service or the PubChem database. It aims to assist users in evaluating the available data about a specific content or for data exploration.
Consists of chemical information and four types of well-developed assays associated with the four events of the adverse outcome pathway (AOP) for skin sensitization reported by Organization for Economic Cooperation and Development (OECD). SkinSensDB provides chemical-related informations which include the CAS number, IUPAC name, INCHI, INCHIKEY, formula, SMILES, hydrogen-bond acceptor, hydrogen-bond donor, molecular weight and topological polar surface area (TPSA). This database also offers external links to PubChem database and SDF files for 2D and 3D structures.
A Web-based platform for collecting and storing toxicological structural alerts from literature and for virtual screening of chemical libraries to flag potentially toxic chemicals and compounds that can cause adverse side effects. An alert is uniquely identified by a SMARTS template, a toxicological endpoint, and a publication where the alert was described. Additionally, the system allows storing complementary information such as name, comments, and mechanism of action, as well as other data.
Provides genetic toxicology (mutagenicity) test data from expert peer review of open scientific literature for more than 3,000 chemicals from the United States Environmental Protection Agency (EPA). GENE-TOX selects assay systems for evaluation, reviews data in the scientific literature, and recommends proper testing protocols and evaluation procedures for these systems. It covers the years 1991 to 1998.
Provides information in areas such as chemical substance identification, chemical and physical properties, safety and handling, toxicology, pharmacology, environmental fate and transformation, regulations, and analytical methodology. HSDB focuses on the toxicology of potentially hazardous chemicals and particularly on human exposure, industrial hygiene, emergency handling procedures, environmental fate, regulatory requirements, nanomaterials, and related areas.
Contains over 9,000 chemical records with carcinogenicity, mutagenicity, tumor promotion, and tumor inhibition test results. CCRIS’s data are derived from studies cited in primary journals, current awareness tools, National Cancer Institute (NCI) reports, and other special sources. CCRIS is a scientifically evaluated and fully referenced data bank, developed and maintained by the NCI. The database provides historical information from the years 1985 - 2011.
Contains data in support of human health risk assessment, including hazard identification and dose-response assessments. IRIS refers descriptive and quantitative information related to human cancer and non-cancer health effects that may result from exposure to substances in the environment.
Provides references covering the biochemical, pharmacological, physiological, and toxicological effects of drugs and other chemicals. TOXLINE contains assortment of citations from specialized journals and other sources. The database references date from the 1840s to the present. It provides an easy to use browser and, for expert users, an advanced search mode which allows to specify the year of publication, toxline components etc.
Gathers information about nanomaterials. eNanoMapper prototype database is part of the computational infrastructure for toxicological data management of engineered nanomaterials. This platform offers user a way to search nanomaterials information with several filters such as: (1) identifier; (2) physchem parameters or biological effects; (3) or composition. User can download several types of information from the online database.
Provides data across multiple assay types for chemicals across a broad structural diversity. EDKB contains more than 3200 records for over 1800 chemical compounds. It is composed of data from rat, mouse, and human and contains a broad chemical structure diversity. The database is valuable in extending predictive systems to real-world regulatory implementations It offers specific toxicology data and structure search capabilities.
Gathers reports about toxicity test generated by Japan's existing chemicals safety program. JECDB gives access, for each entry, to a nomenclature of the chemicals accompanied by abstracts and compiled data. Searches can be made by CAS registry number, name or toxicity test. The database also includes a list of chemical substances tested and a list of reports included in the repository.
Contains purchasable chemical compounds for the purpose of drug development. LigandBox is a 3D chemical compound library available for efficient structure-based virtual screening with a maximum common substructure (MCS) search engine. It can contribute to toward the discovery of new active chemical compounds by virtual screening. This resource contains about one million unique compounds that are not registered in the ZINC and PubChem databases.
Contains information on drugs and other chemicals to which breastfeeding mothers may be exposed. LactMed provides links to information on the creation of the database and its peer review process, a glossary, and links to breastfeeding resources from both American and international organizations. The database includes information on the levels of such substances in breast milk and infant blood, and the possible adverse effects in the nursing infant.
Annotates all the toxin proteins found in the venom of animals. Tox-Prot is an online resource that supplies information on snakes, scorpions, spiders, jellyfish, insects, cone snails, sea anemones, lizards, and the platypus. It also deals with the toxins found in the body of poisonous animals, such as worms and fish, which do not have a specialized venom organ injection. Moreover, annotations of all toxin families are regularly updated as well as the list of toxin sequences.
Allows users to create dynamic maps that show where Toxics Release Inventory (TRI) chemicals are released. TOXMAP provides direct links to information about the chemicals in TOXNET. It provides customized chemical and/or region-specific searches of National Library of Medicine’s (NLM’s) bibliographic biomedical resources. The database uses chemical and geographic terms from the displayed map to search bibliographic databases, integrates geographically coded data from other sources, and be easy to navigate and understand.
Provides a comprehensive list of all known potassium channel toxins purified from scorpion venom (KTx) and compiles all available structural and activity data on these substances. Kalium includes molecules for which information on protein level is available, and about 180 in total. It is manually curated and refines the KTx systematics and brings it up to date with the help of the leading experts.
Contains 620 chemical records with information on toxic risk levels and risk values, carcinogen classifications, and dose-related information. ITER presents a comparison of the international risk assessment data via summary tables with the information from each parent organization listed next to each other. It explains differences in risk values derived by different organizations. The database includes data from the EPA, Health Canada, the National Institute of Public Health and the Environment of the Netherlands, and other organizations.
Contains information on the epidemiology of occupational or job task related diseases. Haz-Map provides links to information about industrial hygiene related to occupational exposure to a specific list of toxic chemicals. The database is useful for health and safety professionals, as well as consumers who wish to research the various health effects of exposure to chemicals in the workplace. It provides a link between these jobs or hazardous tasks and their associated occupational diseases and symptoms.
Offers a source of environmental performance information about firms. TRI requires all manufacturing facilities operating under SIC codes 20-39, with 10 or more employees, to submit a report of their annual on-site releases and off-site transfers of each of over 300 specified toxic chemicals. TRI is a set of publicly available databases containing information on releases of specific toxic chemicals. The database allows investors to benchmark a firm’s environmental performance and make comparisons of performance over time as well as across firms.
Aims to develop structure-activity relationship models of liver carcinogens. NTRlcdb contains around 1000 chemicals that was classified in different categories on studies of male and female mice and rats: liver carcinogen, other carcinogen, non-carcinogen. The database had an unequal distribution of liver cancer and non-liver cancer causing molecules, which can cause problems in the training of a model.
Gathers information about experimental mixture studies. CREST is a public repository organized through three main categories: literature, datasets and chemicals. Searches can be made by studies or by chemicals using their name or their standard international chemical identifiers (Std InChIs). The database gives access to external links towards the corresponding literature or to content that can be exported in tab-separated text format. The database is part of the MixTox TRI (towards regulatory implementation) project.
Is a result of collaboration between human health and animal health professionals to explore the linkages between animal disease events and human environmental health risks. The Canary Database is a compilation of curated peer-reviewed research articles related to the use of animals as sentinels of human health hazards. This database contains information added by trained curators in addition to bibliographic records from MEDLINE and other well-known databases. The database includes studies of wildlife, companion, and livestock animals, where either the exposure or the health effect could be considered potentially relevant to human health.
Uses colors, graphics, sounds and animations to add interest to learning about connections between chemicals, the environment, and the public's health. Tox Town is designed to give information on (i) everyday locations where you might find toxic chemicals, (ii) non-technical descriptions of chemicals, (iii) links to selected, authoritative chemical information on the Internet, (iv) how the environment can impact human health, and (v) Internet resources on environmental health topics.
Allows to learn about household products, about potential health effects, and about safety and handling. Household Products Database sorts information by different topics: inside home, home maintenance, personal care, landscape/yard, arts & crafts, pet care, pesticides, auto products home office, commercial/institutional. The user can browse items by product name, type of product, manufacturer or ingredient.
Allows sharing and displaying monitoring data of environmental contaminants. ChemTHEATRE aims to make the prediction of global chemical pollution easier in cooperation with external database or other tools. It allows storage of data on chemicals in cooperation with the Environmental Specimen Bank.
Gathers toxicity and regulatory information for pesticides. PAN Pesticide Database provides several categories of information: chemicals, products, California pesticide use, international pesticide registration information and pesticide poisoning information. It contains human toxicity (chronic and acute), ecotoxicity and regulatory information for more than 6,000 pesticide active ingredients and their transformation products, as well as adjuvants and solvents used in pesticide products.