Chapter 30. Structure-Property Relationships

  1. David C. Young

Published Online: 25 APR 2002

DOI: 10.1002/0471220655.ch30

Book Title

Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems

Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems

Additional Information

How to Cite

Young, D. C. (2002) Structure-Property Relationships, in Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems, John Wiley & Sons, Inc., New York, USA. doi: 10.1002/0471220655.ch30

Author Information

  1. Cytoclonal Pharmaceutics Inc.

Publication History

  1. Published Online: 25 APR 2002
  2. Published Print: 21 FEB 2001

ISBN Information

Print ISBN: 9780471333685

Online ISBN: 9780471220657

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CHAPTER TOOLS

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Keywords:

  • quantitative structure property relationships;
  • QSPR;
  • quantitative structure activity relationships;
  • QSAR;
  • 3D QSAR;
  • comparative QSAR;
  • correlation coefficient;
  • intercorrelation coefficient;
  • nonlinear parameter;
  • constitutional descriptors;
  • topological descriptors;
  • electrostatic descriptors;
  • geometrical descriptors;
  • quantum chemical descriptors;
  • statistical mechanical descriptors;
  • partial least squares;
  • PLS;
  • principle component analysis;
  • PCA

Summary

Chapter 30 is devoted to structure-property relationships.

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