2. In Silico ADME/Tox Predictions

  1. Katya Tsaioun and
  2. Steven A. Kates
  1. David Lagorce,
  2. Christelle Reynes,
  3. Anne-Claude Camproux,
  4. Maria A. Miteva,
  5. Olivier Sperandio and
  6. Bruno O. Villoutreix

Published Online: 29 NOV 2010

DOI: 10.1002/9780470915110.ch2

ADMET for Medicinal Chemists: A Practical Guide

ADMET for Medicinal Chemists: A Practical Guide

How to Cite

Lagorce, D., Reynes, C., Camproux, A.-C., Miteva, M. A., Sperandio, O. and Villoutreix, B. O. (2011) In Silico ADME/Tox Predictions, in ADMET for Medicinal Chemists: A Practical Guide (eds K. Tsaioun and S. A. Kates), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9780470915110.ch2

Author Information

  1. UMRS 973 Inserm-Paris Diderot, Paris, France

Publication History

  1. Published Online: 29 NOV 2010
  2. Published Print: 10 JAN 2011

ISBN Information

Print ISBN: 9780470484074

Online ISBN: 9780470915110



  • In silico ADME/Tox predictions - ADME/Tox concepts in drug discovery context and development;
  • field of drug discovery, comment on key computer methods - carrying out ADME/Tox predictions;
  • ADME/Tox predictions - within pharmaceutics companies


This chapter contains sections titled:

  • Introduction

  • Key Computer Methods for ADME/Tox Predictions

  • Preparation of Compound Collections and Computer Programs, Challenging ADME/Tox Predictions and Statistical Methods

  • ADME/Tox Predictions within Pharmaceutics Companies

  • Challenging ADME/Tox Predictions

  • Statistical Methods

  • Conclusions

  • References