Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens

Published:
February 26, 2003 by CRC Press - 304 Pages
Editor(s):
Romualdo Benigni, Instituto Superiore Di Sanita, Roma, Italy

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ISBN 9780849315077
Cat# 1507
 

Features

  • Provides a compendium of virtually all of the existing QSAR models
  • Examines the potential and limitations of QSAR models as supporting tools for risk assessment
  • Compares QSAR models for mutagenicity and carcinogenicity to those for the environmental toxicity of the chemicals
  • Includes new approaches to QSAR modeling that can reduce the use of animals in lab testing
  • Contains a list of relevant Web sites that provide speedy access to data.
  • Romualdo Benigni received his education in Chemistry from the University of Rome. He is currently Head of the Structure-Activity Relationships Section of the Laboratory of Comparative Toxicology at the Instituto Superiore di Sanità, Rome, Italy.

    • Summary

    Applied with success in a number of areas, QSAR studies have become particularly popular in the rational design of drugs and pesticides. Much has been published on the principles of QSAR in this area, but not on their application s to toxic chemicals.
    This book provides the first comprehensive, interdisciplinary presentation of QSAR studies on chemical mutagens and carcinogens. It synthesizes the body of knowledge and recent advances in this rapidly emerging field through the contributions of leading experts from around the world.

    Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens focuses on the use of QSAR modeling in predicting and designing compounds for synthesis and testing of cancer drugs. The authors clearly show how QSAR can contribute to the elucidation of mechanisms, to identifying toxic chemicals solely by their chemical structure, and to the design of safer chemicals. The contents include a general introduction to QSAR theory and extensive reviews of virtually all existing QSAR models.

    Table of Contents

    General Introduction to QSAR
    R. Franke and A. Gruska

    Mechanisms of Action of Chemical Carcinogens and their Role in Structure-Activity Relationships (SAR) Analysis and Risk Assessment
    Yin-Tak Woo and David Y. Lai

    QSARs for Individual Classes of Chemical Mutagens and Carcinogens
    L. Passerini

    QSARs for the Mutagenicity and Carcinogenicity of the Aromatic Amines
    R. Benigni, A. Giuliani, A. Gruska, R. Franke

    Public Sources of Mutagenicity and Carcinogenicity Data: Use in Structure-Activity Relationship Models
    A. M. Richard and C. R. Williams

    SAR in the Assessment of Carcinogenesis: the MultiCASE Approach
    H.S. Rosenkranz

    Predicting Mutagenicity of Congeneric and Diverse Sets of Chemicals Using Computed Molecular Descriptors: A Hierarchical Approach
    S.C.Basak, D. Mills, B.D. Gute, D. M. Hawkins

    Quantitative Structure-Activity Relationships for Acute Aquatic Toxicity: the Role of Mechanisms of Toxic Action in Successful Modelling
    M T.D. Cronin

    SARs and QSARs of Mutagens and Carcinogens: Understanding Action Mechanisms And Improving Risk Assessment
    R. Benigni

    Editorial Reviews

    "[T]he editor has assembled a first-rate team of contributors who are themselves active in the field … . … I can certainly recommend this volume on the basis of the information it contains … . "
    - Journal of Medicinal Chemistry, 2004, Vol. 47, No. 21

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