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  3. In silico toxicology : principles and applications

In silico toxicology : principles and applications

Posted By: insetes
Date: 15 Jan 2019 08:44:12
In silico toxicology : principles and applications

In silico toxicology : principles and applications By Mark T D Cronin; Judith C Madden
2010 | 669 Pages | ISBN: 1849730040 | PDF | 22 MB


Content: 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
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