Computer-Aided Molecular Design: Applications in Agrochemicals, Materials, and Pharmaceuticals (ACS Symposium, #589)

Charles H. Reynolds (Editor), etc. (Editor), M. Katherine Holloway (Editor), Harold K. Cox (Editor), M. Katherine Holloway (Merck Research Laboratories, Germany) (Editor), and Harold K. Cox (Zeneca Ag Products, Germany) (Editor)

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Chronicles recent successes in the application of computer-aided molecular design to the development of new agrochemicals, materials, and pharmaceuticals. Provides an overview of many state-of-the-art modelling techniques, including CoMFA, molecular dynamics, de novo ligand design, QSAR, molecular orbital methods, and genetic algorithms. Includes computational studies of pharmacokinetic properties such as transport and metabolism. Describes modelling of interfacial phenomena, including organic and inorganic surfaces.
  • ISBN13 9780841231603
  • Publish Date 5 May 1995
  • Publish Status Out of Print
  • Out of Print 26 June 2010
  • Publish Country US
  • Imprint American Chemical Society
  • Format Hardcover
  • Pages 428
  • Language English