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
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
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
"[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