Chapter 1.3. Web-Based Calculation of Molecular Properties

  1. Prof. Dr. Johann Gasteiger
  1. Peter Ertl,
  2. Paul Selzer

Published Online: 5 MAY 2008

DOI: 10.1002/9783527618279.ch42a

Book Title

Handbook of Chemoinformatics: From Data to Knowledge in 4 Volumes

Handbook of Chemoinformatics: From Data to Knowledge in 4 Volumes

Additional Information

How to Cite

Ertl, P. and Selzer, P. (2008) Web-Based Calculation of Molecular Properties, in Handbook of Chemoinformatics: From Data to Knowledge in 4 Volumes (ed J. Gasteiger), Wiley-VCH Verlag GmbH, Weinheim, Germany. doi: 10.1002/9783527618279.ch42a

Editor Information

  1. Computer-Chemie-Centrum and Institute, of Organic Chemistry, University of Erlangen-Nürnberg, Nägelsbachstraße 25, 91052 Erlangen, Germany

Publication History

  1. Published Online: 5 MAY 2008
  2. Published Print: 8 AUG 2003

ISBN Information

Print ISBN: 9783527306800

Online ISBN: 9783527618279

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Keywords:

  • molecular characteristics;
  • processing chemical information;
  • programming language;
  • chemical structures;
  • molecules

Summary

This chapter contains sections titled:

  • Introduction

  • Tools for Web-Based Calculation of Molecular Properties in the Chemical Industry

  • Novartis Web-Based Chemoinformatics and Molecular Processing System

  • Free Web-Based Calculation of Molecular Properties on the Internet

  • Conclusions

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