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Textbook Comments

This first work to be devoted entirely to this increasingly important field, the “Textbook” provides both an in-depth and comprehensive overview of this exciting new area.

The book provides an introduction to the representation of molecular structures and reactions, data types and databases/data sources, search methods, methods for data analysis descriptor caclulation, and property prediction as well as such applications as structure elucidation, reaction simulation, synthesis planning and drug design. Clearly structured and didactically brilliant, the “Textbook” has an application-oriented approach and explains software tools in detail, such that students will not only learn the necessary theoretical background, but also how to use the different software packages available in the field.

  • 650 pages



  • Lecturers in chemistry
  • Students in chemistry
  • Chemists
  • Computational chemists
  • Medicinal chemists
  • Biochemists
  • Pharmaceutical industry


  • Computational Chemistry & Molecular Modeling
  • Pharmaceutical & Medicinal Chemistry

For more details on Chemoinformatics, users are referred to the “Handbook of Chemoinformatics”.
Markus Sitzmann
Thomas Engel 2003
Contact: Thomas Engel
last update: 2003-10-19