Chapter 8. Molecular Diversity Analysis and Combinatorial Library Design

  1. Dr. David E. Clark
  1. Lutz Weber

Published Online: 4 MAR 2008

DOI: 10.1002/9783527613168.ch8

Evolutionary Algorithms in Molecular Design

Evolutionary Algorithms in Molecular Design

How to Cite

Weber, L. (2000) Molecular Diversity Analysis and Combinatorial Library Design, in Evolutionary Algorithms in Molecular Design (ed D. E. Clark), Wiley-VCH Verlag GmbH, Weinheim, Germany. doi: 10.1002/9783527613168.ch8

Editor Information

  1. Computer-Aided Drug Design, Aventis Pharma Ltd., Dagenham Research Centre, Rainham Road South, Dagenham, Essex RM10 7XS, United Kingdom

Publication History

  1. Published Online: 4 MAR 2008
  2. Published Print: 27 JUL 2000

ISBN Information

Print ISBN: 9783527301553

Online ISBN: 9783527613168

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Keywords:

  • hydrophobic zipper;
  • molecular mechanics;
  • random search;
  • orthogonal arrays;
  • biology

Summary

This chapter contains sections titled:

  • Introduction

  • The Diversity of Genotypes: The Space of Chemistry

  • The Diversity of Phenotypes: The Property Space

  • Diversity and Distance Calculation

  • Connecting the Structure and the Property Space: Evolutionary Algorithms

  • Evolutionary Methods for Compound Selection

  • Computer-Aided Evolutionary Chemistry

  • Summary and Outlook