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QSAR
for Inhalation Toxicity in Mammals
Inhalation toxicity in mammal
tests is one animal test that is similar to aquatic toxicity tests with
fish, since the chemical exposure is directly across the respiratory
organ. QSAR modeling of aquatic toxicity has been successful because a
systematic database was designed to reveal the chemical determinants of
toxicity. However, the available data for inhalation toxicity in
mammals is of poor quality collectively and has no systematic design.
Consequently, attempts to develop QSAR models for inhalation toxicity
or to compare these effects with those in fish have been largely
unconvincing to the skeptic.
Rather than conduct additional rodent tests, the International QSAR
Foundation (IQF) has developed a project to compile the high-quality
inhalation data from the last 50 years, and then to integrate rodent
data with the systematic data in the fish database. This result is
being accomplished through meticulous tracking of each rodent test back
to the primary reference and discarding all ambiguous data yielded by
unreliable test methods. This project has already produced a tremendous
improvement in the QSAR models without the need of a single new
toxicity test.
Critical reviews of the literature are labor intensive and are not
glamorous research . . . with the result that critical reviews like
this are generally not supported by government funding. Your support is
needed to keep this effort going and make high-quality data available
to QSAR specialists around the world. The more widely that high-quality
data and models are distributed, the greater influence we will have on
preventing redundant and otherwise unnecessary tests.
QSAR for Aquatic Toxicity of Reactive Chemicals
This project with US EPA
(Duluth), University of Wisconsin (Superior), University of Tennessee
(Knoxville) and John Moores University (Liverpool) aims to classify
reactive chemicals via their toxicity syndrome and develop QSAR's to
predict their toxicity.
QSAR
Classification for Skin/Lung Sensitization
This project with the
University of Minnesota Toxicology Program (Duluth) and University of
Tennessee (Knoxville) aims to demonstrate the chemical similarities
between immune responses in the skin and in the lung .
QSAR
Classification of Reproductive Impairment
This project with the US EPA
(Duluth) aims to develop QSAR models for the binding of chemicals to
the nuclear receptors such as the estrogen receptor for the purposes of
screening large chemical inventories for endocrine disrupting chemicals.
QSAR
Methods for Bioaccumulation Potential
This internal IQF project goal
is to improve current QSAR models of screening for highly
bioaccumulative chemicals.
QSAR
Methods for Environmental Persistence
This project with the Bourgas
Laboratory of Mathematical Chemistry seeks to improve the CATABOL
program for microbial degradation rates and for identification of
persistent chemicals in screening persistent, bioaccumulative and toxic
chemicals.
QSAR
Reactivity Profiles for Electrophiles
This project with the
University of Tennessee and Utah State University aims at developing
systematic data sets for the reactivity of chemicals to a series of
model nucleophiles. The thiol center in glutathione, the amino center
in lysine or butylamine, and the oxygen and ring nitrogen atoms in
2-pyridone are the current model nucleophiles being evaluated. |
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