This page provides links to various resources of relevance to this project. Suggested links are welcome, via the comments. The list is a work in progress.
PubMed: NCBI MEDLINE
GoPubMed: semantically enriched PubMed
Toxline: at ToxNet, should have better chemical indexing than PubMed, coverage may vary. See also the Hazardous Substances Database (HSDB).
ChemSpider: RSC, aggregates multiple sources, free, programmering APIs are available
Chemical Abstracts Service (CAS): commercial, authoritative source
Pesticide Properties Database (PPDB): University of Hertfordshire, UK
International Chemical Identifier (inChI): see descriptions at IUPAC and Wikipedia. The InChI software and documentation can be found here and there is a very useful tool (the Chemical Identifier resolver) on the cactus web server.
T3DB: the toxic exposome database: lists 3,673 toxins (as of February 2015), including “pollutants, pesticides, drugs, and food toxins”. Categories for T3DB search engine are: Airborne Pollutant; Animal Toxin; Bacterial Toxin; Cigarette Toxin; Drug; Food Toxin; Fungal Toxin; Household Toxin; Industrial/Workplace Toxin; Natural Toxin; Pesticide; Plant Toxin; Pollutant; Polychlorinated Biphenyl; Protein; Synthetic Toxin; Uremic Toxin. See publications by Wishart et al. 2014 and Lim et al. 2010.
Exposure databases & tools
US EPA has a Expo-Box tool, which comprises a series of web sites resulting in a “compendium of exposure assessment tools that links to guidance documents, databases, models, reference materials, and other related resources”.
PRIMo: Pesticide Residue Intake Model, download spreadsheet and instructions.
NHANES: rolling 2-year human monitoring program of around 200 chemicals; intended to reflect the US population.
see ACToR, ToxRefDB, ToxCastDB
Regulatory & governmental links
US EPA: US Environmental Protection Agency
ACToR: Aggregated Computational Toxicology Resource; EPA chemical toxicity data warehouse. includes
- ToxRefDB: in vivo animal toxicity data, 100s of chemicals
- ToxCastDB: screening 1000 chemicals in >500 high throughput screening assays/rapid tests.
- ExpoCastDB: human exposure data
- DSSTox: high quality chemical structures and annotations
- ToxCast data files can be downloaded here
IRIS database: Integrated Risk Information System
European Commission (EC)
Combination effects of chemicals webpage
Communication from the Commission to the Council, 2012
Scientific Committees Opinion
Toxicity and Assessment of Chemical Mixtures, 2011 SCHER, SCENIHR, SCCS
EFSA: European Food Safety Authority
Scientific Opinion on the identification of pesticides to be included in cumulative assessment groups on the basis of their toxicological profile, EFSA, 2013.
International Frameworks Dealing with Human Risk Assessment of Combined Exposure to Multiple Chemicals, EFSA, 2013.
ECHA: European Chemicals Agency
- Biocidal Products Regulation
- maintains the Candidate List (155 substances as of 16 June 2014).
United Kingdom (UK)
UK FSA: Food Standards Agency
UK MHRA: UK Medicines and healthcare Products Regulatory Agency
JECFA/JMPR: Joint FAO/WHO Expert Committee on Food Additives; an international expert scientific committee that is administered jointly by the Food and Agriculture Organization of the United Nations (FAO) and the World Health Organization (WHO).
JMPR: Joint FAO/WHO Meeting on Pesticide Residues
Produced by the Kortenkamp group:
- State of the art report on Mixture Toxicity, 2009, for DG Environment. Download the pdf here.
- Investigation of the state of the science on combined actions of chemicals in food through dissimilar modes of action and proposal for science-based approach for performing related cumulative risk assessment, 2012, for EFSA. Download the pdf here.
- Risk of Combination Effects Between Decabromodiphenyl Ether and Other Polybrominated Diphenyl Ethers, 2013, for Norwegian Environment Agency. Download the pdf here.
Combination effects of chemicals, KEMI, 2011
HEROIC: “integrating knowledge across human and environmental risk assessment”. FP7. HEROIC includes development of the TOX-HUB platform which aims to link toxicological and ecotoxicological data and improve accessibility.
SOLUTIONS: “searches for new and improved tools, models, and methods to support decisions in environmental and water policies.”
CONTAMED: ” Contaminant mixtures and human reproductive health – novel strategies for health impact and risk assessment of endocrine disrupters”. Project aim is to improve knowledge about the role of chemical pollution in the decline of male reproductive health in Europe. FP7
FACET: project developed the FACET exposure tool in response to a call for a risk management tool and database of information on levels of food additives, food flavourings and food contact materials with corresponding food consumption data
ECETOC: European Centre for Ecotoxicology and Toxicology of Chemicals
Citations on this page
Wishart D, Arndt D, Pon A, Sajed T, Guo AC, Djoumbou Y, Knox C, Wilson M, Liang Y, Grant J, Liu Y, Goldansaz SA, Rappaport SM. 2014. T3DB: the toxic exposome database. Nucleic Acids Res.
Lim E, Pon A, Djoumbou Y, Knox C, Shrivastava S, Guo AC, Neveu V, Wishart DS. 2010. T3DB: a comprehensively annotated database of common toxins and their targets. Nucleic Acids Res 38:D781-D786.