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In Silico Toxicology - Principles and Applications (Hardcover, Edition.)
Loot Price: R5,189
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In Silico Toxicology - Principles and Applications (Hardcover, Edition.)
Series: Issues in Toxicology, Volume 7
Expected to ship within 12 - 17 working days
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In Silico methods to predict toxicity have become increasingly
important recently, particularly in light of European legislation
such as REACH and the Cosmetics Regulation. They are also being
used extensively worldwide e.g. in the USA, Canada, Japan and
Australia. In assessing the risk that a chemical may pose to human
health or to the environment, focus is now being directed towards
exploitation of in silico methods to replace in vivo or in vitro
techniques. A prediction of potential toxicity requires several
stages: 1) Collation and organisation of data available for the
compound, or if this is not available, information for related
compounds. 2) An assessment of the quality of the data. 3)
Generation of additional information about the compound using
computational techniques at various levels of complexity -
calculation of physico-chemical properties, 2-D, 3-D / MO
descriptors and specific receptor modelling / interaction. 4) Use
of an appropriate strategy to predict toxicity - ie a statistically
valid method which makes best use of all available information
(mechanism of action, activity for related compounds, extrapolation
across species and endpoints, likely exposure scenario amounts over
time etc). 5) Consideration then needs to be given to how this
information is used in the real world ie use of expert systems /
tools as relevant to assessors (if sufficiently different to
previous) - weight of evidence approaches. 6) Finally evidence
should be presented from case studies within this area. No other
publication brings together information on all of these areas in
one book and this publication is unique in that it provides a
logical progression through every one of these key stages and
defines the use of computational approaches to predict the
environmental toxicity and human health effects of organic
chemicals. The volume is aimed at the developers and users of in
silico toxicology and provides an analysis of all aspects required
for in silico prediction of toxicology, including data collation,
quality assessment and computational approaches. The contributions
from recognised leaders in each of these areas include evidence of
the use and applicability of approaches using real world case
studies concerning both environmental and human health effects. The
book provides a very useful single source reference for people
working in this area including academics, professionals, under- and
post-graduate students as well as Governmental Regulatory
Scientists involved in chemical risk assessment and REACH.
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