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Quantitative Structure-Activity Relationships in Environmental Sciences (QSAR I)

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* ISBN: 978-1-880611-23-4 Publication Date: 1997 Pages: 494
 
Description

Editors: Fei Chen, Gerrit Schüürmann

Readers will discover developments in QSAR in environmental chemistry and toxicology with the help of illustrations, tables, and descriptions of computer programs that predict molecular properties from chemical structure information.

Major sections present

  • molecular modeling and computerization techniques
  • QSAR applications for chemicals and their physicochemical properties
  • QSAR models for acute toxicity and mutagenicity with an emphasis on theoretical tools for identification and characterization of specific modes of toxic action
  • model statistical validation and model application in the context of environmental risk assessment