Predicting chemical toxicity and fate /
| Other Authors: | , |
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| Format: | Book |
| Language: | English |
| Published: |
Boca Raton, Fla. :
CRC Press,
[2004]
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| Subjects: |
Table of Contents:
- Predicting chemical toxicity and fate in humans and the environment - an introduction
- Toxicity data sources
- Calculation of physicochemical properties
- Good practice in physiochemical property prediction
- Whole molecule and atom-based topological descriptors
- Quantum chemical descriptors in structure-activity relationships - calculation, interpretation, and comparison of methods - Building QSAR models : a practical guide
- Prediction of human health endpoints : mutagenicity and carcinogenicity
- The use of expert systems for toxicity prediction : illustrated with reference to the DEREK program
- Computer based methods for the prediction of chemical metabolism and biotransformation within biological organisms
- Prediction of pharmacokinetic parameters in drug design and toxicology
- Development and evaluation of QSARs for ecotoxic endpoints : the benzene response-surface model for Tetrahymena toxicity
- Receptor-mediated toxicity : QSARs for estrogen receptor binding and priority setting of potential estrogenic endocrine disruptors
- Prediction of persistence
- QSAR modeling of bioaccumulation
- QSAR modeling of soil sorption
- Application of catabolic-based biosensors to develop QSARs for degradation
- The tiered approach to toxicity assessment based on the integrated use of alternative (non-animal) tests
- The use by governmental regulatory agencies of quantitative structure-activity relationships and expert systems to predict toxicity
- A framework for promoting the acceptance and regulatory use of (quantitative) structure-activity relationships