Chapter 4. Advanced Statistical Techniques

  1. Dr. Han van de Waterbeemd
  1. Jonathan A. Malpass,
  2. David W. Salt,
  3. Martyn G. Ford,
  4. E. Watcyn Wynn,
  5. David J. Livingstone,
  6. Jean-Christophe Doré,
  7. Tiiu Ojasoo,
  8. Valerie S. Rose,
  9. John Wood,
  10. Halliday J. H. MacFie and
  11. Klaus-Jürgen Schaper

Published Online: 4 MAR 2008

DOI: 10.1002/9783527615674.ch4

Advanced Computer-Assisted Techniques in Drug Discovery, Second Edition

Advanced Computer-Assisted Techniques in Drug Discovery, Second Edition

How to Cite

Malpass, J. A., Salt, D. W., Ford, M. G., Wynn, E. W., Livingstone, D. J., Doré, J.-C., Ojasoo, T., Rose, V. S., Wood, J., MacFie, H. J. H. and Schaper, K.-J. (1994) Advanced Statistical Techniques, in Advanced Computer-Assisted Techniques in Drug Discovery, Second Edition (ed H. van de Waterbeemd), Wiley-VCH Verlag GmbH, Weinheim, Germany. doi: 10.1002/9783527615674.ch4

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: 24 NOV 1994

ISBN Information

Print ISBN: 9783527292486

Online ISBN: 9783527615674

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Keywords:

  • molecular field analysis;
  • molecular potentials;
  • medicinal chemistry;
  • chemometric procedure;
  • QSAR

Summary

This chapter contains sections titled:

  • Continuum Regression: A New Algorithm for the Prediction of Biological Activity

  • Molecular Taxonomy by Correspondence Factorial Analysis (CFA)

  • Analysis of Embedded Data: k-Nearest Neighbor and Single Class Discrimination

  • Quantitative Analysis of Structure-Activity-Class Relationships by (Fuzzy) Adaptive Least Squares

  • Alternating Conditional Expectations in QSAR