Predictive Toxicology - The Book

A comprehensive overview of techniques and systems currently utilized in predictive toxicology, this reference presents an in-depth survey of strategies to characterize chemical structures and biological systems-covering prediction methods and algorithms, sources of high-quality toxicity data, the most important commercial and noncommercial predictive toxicology programs, and advanced technologies in computational chemistry and biology, statistics, and data mining.

Language: English
520 Pages - CRC Press
Date of issue: 30th of June 2005
ISBN: 082472397X


Table of Contents

  1. A Brief Introduction to Predictive Toxicology.
  2. Description and Representation of Chemicals.
  3. Computational Biology and Toxicogenomics.
  4. Toxicological Information for Use in Predictive Modeling: Quality, Sources, and Databases.
  5. The Use of Expert Systems for Toxicology Risk Prediction.
  6. Regression- and Projection-Based Approaches in Predictive Toxicology.
  7. Machine Learning and Data Mining.
  8. Neural Networks and Kernel Machines for Vector and Structured Data.
  9. Applications of Substructure-Based SAR in Toxicology.
  10. OncoLogic: A Mechanism-Based Expert System for Predicting the Carcinogenic Potential of Chemicals.
  11. META: An Expert System for the Prediction of Metabolic Transformations.
  12. MC4PC-An Artificial Intelligence Approach to the Discovery of Quantitative Structure-Toxic Activity Relationships.
  13. PASS: Prediction of Biological Activity Spectra for Substances.
  14. Lazar: Lazy Structure-Activity Relationships for Toxicity Prediction.


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