Spelling suggestions: "subject:"qsar""
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Modeling toxic endpoints for improving human health risk assessmentBruce, Erica Dawn 15 May 2009 (has links)
Risk assessment procedures for mixtures of polycyclic aromatic hydrocarbons
(PAHs) present a problem due to the lack of available potency and toxicity data on
mixtures and individual compounds. This study examines the toxicity of parent
compound PAHs and binary mixtures of PAHs in order to bridge the gap between
component assessment and mixture assessment. Seven pure parent compound PAHs and
four binary mixtures of PAHs were examined in the Salmonella/Microsome
Mutagenicity Assay, a Gap Junction Intercellular Communication (GJIC) assay and the
7-ethoxyresorufin-O-deethylase assay (EROD). These assays were chosen for their
ability to measure specific toxic endpoints related to the carcinogenic process (i.e.
initiation, promotion, progression). Data from these assays was used in further studies to
build Quantitative Structure-Activity Relationships (QSARs) to estimate toxic endpoints
and to test the additive assumption in PAH mixtures. These QSAR models will allow
for the development of bioassay based potential potencies (PPB) or toxic equivalency
factors (TEFs) that are derived not only from bioassay data, but also from structure,
activity, and physical/chemical properties. These models can be extended to any
environmental media to evaluate risk to human health from exposures to PAHs.
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Environmental fate prediction using molecular modelling techniquesLeeke, Caleb January 1999 (has links)
No description available.
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