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In silico toxicology : principles and applications

Author: Mark T D Cronin; Judith C Madden; Royal Society of Chemistry (Great Britain)
Publisher: Cambridge, UK : RSC Pub., ©2010.
Series: Issues in toxicology, no. 7.
Edition/Format:   Print book : EnglishView all editions and formats
Summary:

This book defines the use of computational approaches to predict the environmental toxicity and human health effects of organic chemicals.

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Material Type: Internet resource
Document Type: Book, Internet Resource
All Authors / Contributors: Mark T D Cronin; Judith C Madden; Royal Society of Chemistry (Great Britain)
ISBN: 9781849730044 1849730040
OCLC Number: 714029735
Description: xvii, 669 pages : illustrations.
Contents: Introduction; Section 1: Compiling the Model; Sources of Toxicity Data for In Silico Toxicology; Calculation of Physico-Chemical Properties; Calculation of Theoretical 2-D Descriptors; Calculation of Molecular Orbital Descriptors; QSAR Methods: Receptor Modelling in Toxicology; Evaluating Data Quality; Section 2: Data Integration, Analysis and Utilisation; QSAR Methods: Statistical Methodologies; Characterisation, Evaluation and Possible Validation of a QSAR; Applicability Domain Mechanisms of Toxic Action in In Silico Toxicology; Formation of Categories; Read-Across Endpoint-Based Extrapolation; Role of Exposure in Modelling; Expert Systems Tools for Category Formation and Read-Across; Section 3: Application of In Silico Toxicology to Risk Assessment; Weight of Evidence in Toxicity Prediction; Integrated Testing Strategies; Case Study: Predicting Environmental Toxicity; Case Study: Predicting Human Health; In Silico Toxicology in Risk Assessment
Series Title: Issues in toxicology, no. 7.
Responsibility: edited by Mark T.D. Cronin and Judith C. Madden.
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