eprintid: 1531
rev_number: 10
eprint_status: archive
userid: 6
dir: disk0/00/00/15/31
datestamp: 2013-03-21 08:05:21
lastmod: 2014-03-05 15:50:54
status_changed: 2013-03-21 08:05:21
type: article
metadata_visibility: show
creators_name: Tetko, Igor V.
creators_name: Sopasakis, Pantelis
creators_name: Kunwar, Prakash
creators_name: Brandmaier, Stefan
creators_name: Novoratskyi, Sergii
creators_name: Charochkina, Larisa
creators_name: Prokopenko, Volodymyr
creators_name: Peijnenburg, Willie J.G.M.
creators_id: 
creators_id: pantelis.sopasakis@imtlucca.it
creators_id: 
creators_id: 
creators_id: 
creators_id: 
creators_id: 
creators_id: 
title: Prioritisation of polybrominated diphenyl ethers (PBDEs)
by using the QSPR-THESAURUS web tool
ispublished: pub
subjects: QA75
subjects: QD
divisions: CSA
full_text_status: none
keywords: fate assessment, hazard assessment, multimedia models, online tools, risk assessment
abstract: 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.
date: 2013
date_type: published
publication: ATLA. Alternatives to laboratory animals
volume: 41
number: 1
publisher: Fund for the Replacement of Animals in Medical Experiments
pagerange: 127-135
refereed: TRUE
issn: 0261-1929
related_url_url: http://www.frame.org.uk/atla_article.php?art_id=1501&pdf=true
related_url_type: pub
citation:   Tetko, Igor V. and Sopasakis, Pantelis and Kunwar, Prakash and Brandmaier, Stefan and Novoratskyi, Sergii and Charochkina, Larisa and Prokopenko, Volodymyr and Peijnenburg, Willie J.G.M.  Prioritisation of polybrominated diphenyl ethers (PBDEs) by using the QSPR-THESAURUS web tool.  ATLA. Alternatives to laboratory animals, 41 (1).  pp. 127-135.  ISSN 0261-1929      (2013)