Chapter 18. In Silico Prediction Models for Blood-Brain Barrier Permeation

  1. Prof. Dr. Rolf Dermietzel2,
  2. Prof. Dr. David C. Spray3 and
  3. Prof. Dr. Maiken Nedergaard4
  1. Gerhard F. Ecker and
  2. Christian R. Noe

Published Online: 31 MAY 2007

DOI: 10.1002/9783527611225.ch18

Blood-Brain Barriers: From Ontogeny to Artificial Interfaces, Volume 1

Blood-Brain Barriers: From Ontogeny to Artificial Interfaces, Volume 1

How to Cite

Ecker, G. F. and Noe, C. R. (2006) In Silico Prediction Models for Blood-Brain Barrier Permeation, in Blood-Brain Barriers: From Ontogeny to Artificial Interfaces, Volume 1 (eds R. Dermietzel, D. C. Spray and M. Nedergaard), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany. doi: 10.1002/9783527611225.ch18

Editor Information

  1. 2

    Department of Neuroanatomy and Molecular Brain Research, Ruhr University Bochum, Universitätsstrasse 150, 44780 Bochum, Germany

  2. 3

    Department of Neuroscience, Albert Einstein College of Medicine, 1410 Pelham Parkway S, Bronx, NY 10464, USA

  3. 4

    School of Medicine and Dentistry, University of Rochester, 601 Elmwood Avenue, Rochester, NY 14642, USA

Author Information

  1. Department of Medicinal Chemistry, University of Vienna, Althanstrasse 14, 1090 Vienna, Austria

Publication History

  1. Published Online: 31 MAY 2007
  2. Published Print: 20 FEB 2006

ISBN Information

Print ISBN: 9783527310883

Online ISBN: 9783527611225

SEARCH

Keywords:

  • culturing blood-brain barrier;
  • in silico prediction models;
  • blood-brain barrier permeation;
  • data sets available;
  • computational models;
  • passive diffusion;
  • field-based methods;
  • active transport

Summary

This chapter contains sections titled:

  • Introduction: The In Silico World

  • The Blood-Brain Barrier

  • Data Sets Available

  • Computational Models

  • Passive Diffusion

    • Regression Models

    • Classification Systems

  • Field-Based Methods

  • Active Transport

  • Conclusions and Future Directions

  • References