%N 1
%J ATLA. Alternatives to laboratory animals
%K fate assessment, hazard assessment, multimedia models, online tools, risk assessment
%A Igor V. Tetko
%A Pantelis Sopasakis
%A Prakash Kunwar
%A Stefan Brandmaier
%A Sergii Novoratskyi
%A Larisa Charochkina
%A Volodymyr Prokopenko
%A Willie J.G.M. Peijnenburg
%D 2013
%L eprints1531
%X 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, which allows the calculation of the environmental
risk of chemical compounds from a web interface. The environmental fate of compounds in the aquatic environment is assessed by using the SimpleBox model, while adverse effects on the aquatic environment 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.
%I Fund for the Replacement of Animals in Medical Experiments
%V 41
%T Prioritisation of polybrominated diphenyl ethers (PBDEs)
by using the QSPR-THESAURUS web tool
%P 127-135