Chapter 3. Rational Use of Chemical and Sequence Databases

  1. Dr. Han van de Waterbeemd
  1. Mark A. Johnson,
  2. Gerald M. Maggiora,
  3. Michael S. Lajiness,
  4. Joseph B. Moon,
  5. James D. Petke,
  6. Douglas C. Rohrer,
  7. Geoffrey M. Downs,
  8. Peter Willett,
  9. Paul J. Lewi and
  10. Henri Moereels

Published Online: 4 MAR 2008

DOI: 10.1002/9783527615674.ch3

Advanced Computer-Assisted Techniques in Drug Discovery, Second Edition

Advanced Computer-Assisted Techniques in Drug Discovery, Second Edition

How to Cite

Johnson, M. A., Maggiora, G. M., Lajiness, M. S., Moon, J. B., Petke, J. D., Rohrer, D. C., Downs, G. M., Willett, P., Lewi, P. J. and Moereels, H. (1994) Rational Use of Chemical and Sequence Databases, 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.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: 24 NOV 1994

ISBN Information

Print ISBN: 9783527292486

Online ISBN: 9783527615674

SEARCH

Keywords:

  • biological activity;
  • drug;
  • complex number;
  • electrostatic fields;
  • hydrogen bonding

Summary

This chapter contains sections titled:

  • Molecular Similarity Analysis: Applications in Drug Discovery

  • Clustering of Chemical Structure Databases for Compound Selection

  • Receptor Mapping and Phylogenetic Clustering