Chapter 18. Computer Methods for Predicting Drug Metabolism

  1. Sean Ekins M.SC., PH.D., D.SC.
  1. Sean Ekins

Published Online: 5 JUN 2006

DOI: 10.1002/0470037237.ch18

Computer Applications in Pharmaceutical Research and Development

Computer Applications in Pharmaceutical Research and Development

How to Cite

Ekins, S. (2006) Computer Methods for Predicting Drug Metabolism, in Computer Applications in Pharmaceutical Research and Development (ed S. Ekins), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/0470037237.ch18

Editor Information

  1. 601 Runnymede Ave., Jenkintown, PA 19046., USA

Author Information

  1. 601 Runnymede Ave., Jenkintown, PA 19046., USA

Publication History

  1. Published Online: 5 JUN 2006
  2. Published Print: 14 JUL 2006

Book Series:

  1. Wiley Series in Drug Discovery and Development

Book Series Editors:

  1. Binghe Wang

ISBN Information

Print ISBN: 9780471737797

Online ISBN: 9780470037232

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Keywords:

  • computer methods in predicting drug metabolism;
  • statistical, pharmacophore, and homology models;
  • metabolism prediction applications

Summary

This chapter contains sections titled:

  • Introduction

  • Statistical, Pharmacophore, and Homology Models and Crystal Structures of Drug-Metabolizing Enzymes

  • Electronic Models for Metabolism Prediction

  • Databases and Rule-Based Approaches for Metabolism Prediction

  • Applications of Metabolism Prediction

  • Conclusions

  • Acknowledgments

  • References