Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and CarcinogensRomualdo Benigni 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 |
Contents
Mechanisms of Action of Chemical Carcinogens and Their Role in Structure8211Activity Relationships SAR Analysis and Risk Assessment | 41 |
QSARs for Individual Classes of Chemical Mutagens and Carcinogens | 81 |
QSARs for the Mutagenicity and Carcinogenicity of the Aromatic Amines | 125 |
Public Sources of Mutagenicity and Carcinogenicity Data Use in Structure8211Activity Relationship Models | 145 |
SAR in the Assessment of Carcinogenesis The MultiCASE Approach | 175 |
Predicting Mutagenicity of Congeneric and Diverse Sets of Chemicals Using Computed Molecular Descriptors A Hierarchical Approach | 207 |
Quantitative Structure8211Activity Relationships for Acute Aquatic Toxicity The Role of Mechanism of Toxic Action in Successful Modeling | 235 |
SARs and QSARs of Mutagens and Carcinogens Understanding Action Mechanisms and Improving Risk Assessment | 259 |
| 283 | |
Other editions - View all
Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and ... Romualdo Benigni No preview available - 2003 |
Common terms and phrases
ability action activity addition analysis application approach aromatic amines assessment associated atoms bioassay biological calculated Cancer carcinogenesis cell Chem classification coefficient comparative compounds Comput considered containing contribution correlation database derived descriptors Design discriminant Drug effects electronic energy Environ equations et al example existing experimental expert factors Figure fragments function genotoxic graph Hansch human hydrophobicity important increase indices induction inhibition interactions linear matrix measure mechanisms methods molecular molecules mutagenicity Mutat negative obtained organ parameters peroxisome positive possible potency potential prediction present probability proliferation properties QSAR quantitative reactive regression relationships relative reported represented ring risk rodent carcinogenicity role Salmonella SAR models selected significant similar specific statistical steric strains structure studies substituents Table toxicity Toxicol Toxicology toxicophore tumor values variables
Popular passages
Page 282 - Value, validity, and historical development of carcinogenesis studies for predicting and confirming carcinogenic risks to humans. In: Carcinogenicity Testing, Predicting, and Interpreting Chemical Effects. Kitchin, KT, Ed., Marcel Dekker, New York, 1999, pp.
References to this book
Use of Toxicological and Chemical Models to Prioritize DBP Research Richard J. Bull Limited preview - 2006 |