Chapter 2. Molecular Concepts

  1. Dr. Han van de Waterbeemd
  1. Peter C. Jurs,
  2. Steven L. Dixon,
  3. Leanne M. Egolf and
  4. Lemont B. Kier

Published Online: 4 MAR 2008

DOI: 10.1002/9783527615452.ch2

Chemometric Methods in Molecular Design

Chemometric Methods in Molecular Design

How to Cite

Jurs, P. C., Dixon, S. L., Egolf, L. M. and Kier, L. B. (2008) Molecular Concepts, in Chemometric Methods in Molecular Design (ed H. van de Waterbeemd), Wiley-VCH Verlag GmbH, Weinheim, Germany. doi: 10.1002/9783527615452.ch2

Editor Information

  1. F. Hoffmann - La Roche Ltd., Pharma Research New Technologies, CH-4002 Basel, Switzerland

Publication History

  1. Published Online: 4 MAR 2008
  2. Published Print: 9 FEB 1995

ISBN Information

Print ISBN: 9783527300440

Online ISBN: 9783527615452

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Keywords:

  • hypersurface iterative projection;
  • molar refractivity;
  • Hansch-Fujita value;
  • hammett constant;
  • furtorial design

Summary

This chapter contains sections titled:

  • Representations of Molecules

  • Atom-Level Descriptors for QSAR Analyzes