Chapter 18. Lead Identification by Virtual Screening

  1. Prof. Dr. Thomas Lengauer
  1. Andreas Kämper,
  2. Didier Rognan,
  3. Thomas Lengauer

Published Online: 5 FEB 2008

DOI: 10.1002/9783527619368.ch18

Book Title

Bioinformatics - From Genomes to Therapies

Bioinformatics - From Genomes to Therapies

Additional Information

How to Cite

Kämper, A., Rognan, D. and Lengauer, T. (2008) Lead Identification by Virtual Screening, in Bioinformatics - From Genomes to Therapies (ed T. Lengauer), Wiley-VCH Verlag GmbH, Weinheim, Germany. doi: 10.1002/9783527619368.ch18

Editor Information

  1. Max-Planck-Institute for Informatics, Stuhlsatzenhausweg 85, 66123 Saarbrücken, Germany

Publication History

  1. Published Online: 5 FEB 2008
  2. Published Print: 11 JAN 2007

ISBN Information

Print ISBN: 9783527312788

Online ISBN: 9783527619368

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CHAPTER TOOLS

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Keywords:

  • molecules;
  • cascading;
  • filtering;
  • ligands;
  • stereoisomers

Summary

This chapter contains sections titled:

  • Introduction

  • Filtering and Preparation of Ligands

  • Ligand-based VS

  • Postprocessing of Hitlists

  • Critical Evaluation of Structure-based VS

  • Critical Evaluation of Ligand-based VS

  • References

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