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Prioritisation of Polybrominated Diphenyl Ethers (PBDEs) by using the QSPR-THESAURUS web tool.
ATLA-Altern. Lab. Anim. 41, 127-135 (2013)
The prioritisation of chemical compounds is important for the identification of those chemicals that represent the highest threat to the environment. As part of the CADASTER project (http: / /www.cadaster.eu), we developed an online web tool that allows the calculation of the environmental risk of chemical compounds from a web interface. The environmental fate of compounds in the aquatic compartment is assessed by using the SimpleBox model, while adverse effects on the aquatic compartment are assessed by the Species Sensitivity Distribution approach. The main purpose of this web tool is to exemplify the use of quantitative structure-activity relationships (QSARs) to support risk assessment. A case study of QSAR integrated risk assessment of 209 polybrominated diphenyl ethers (PBDEs) demonstrates the treatment and influence of uncertainty in the predicted physicochemical and toxicity parameters in probabilistic risk assessment.
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Publication type
Article: Journal article
Document type
Scientific Article
Keywords
Fate assessment; Hazard assessment; Multimedia models; Online tools; Risk assessment
ISSN (print) / ISBN
0261-1929
Quellenangaben
Volume: 41,
Issue: 1,
Pages: 127-135
Publisher
Sage
Publishing Place
North Sherwood St, Nottingham
Non-patent literature
Publications
Reviewing status
Peer reviewed
Institute(s)
Institute of Structural Biology (STB)