Chapter 3. Experimental Design in Synthesis Planning and Structure-Property Correlations

  1. Dr. Han van de Waterbeemd
  1. Volkhard Austel,
  2. Michael Sjöström,
  3. Lennart Eriksson,
  4. Lowell H. Hall,
  5. van de Han Waterbeemd,
  6. Gabriele Costantino,
  7. Sergio Clementi,
  8. Gabriele Cruciani and
  9. Roberta Valigi

Published Online: 4 MAR 2008

DOI: 10.1002/9783527615452.ch3

Chemometric Methods in Molecular Design

Chemometric Methods in Molecular Design

How to Cite

Austel, V., Sjöström, M., Eriksson, L., Hall, L. H., Waterbeemd, v. d. H., Costantino, G., Clementi, S., Cruciani, G. and Valigi, R. (2008) Experimental Design in Synthesis Planning and Structure-Property Correlations, in Chemometric Methods in Molecular Design (ed H. van de Waterbeemd), Wiley-VCH Verlag GmbH, Weinheim, Germany. doi: 10.1002/9783527615452.ch3

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:

  • anilines;
  • benzencs;
  • benzoic acids;
  • nitro benzenes;
  • phenols

Summary

This chapter contains sections titled:

  • Experimental Design

  • Applications of Statistical Experimental Design and PLS Modeling in QSAR

  • Total Response Surface Optimization

  • Disjoint Principle Properties of Organic Substituents