From Chemical Topology to Three-Dimensional Geometry

  • Alexandru T. Balaban

Part of the Topics in Applied Chemistry book series (TAPP)

Table of contents

  1. Front Matter
    Pages i-xviii
  2. Alexandru T. Balaban
    Pages 1-24
  3. Paul G. Mezey
    Pages 25-42
  4. Ovanes G. Mekenyan, Gilman D. Veith
    Pages 43-71
  5. Subhash C. Basak, Gregory D. Grunwald, Gerald J. Niemi
    Pages 73-116
  6. Bono Lučić, Nenad Trinajstić, Davor Juretić
    Pages 117-158
  7. Milan Randić, Marko Razinger
    Pages 159-236
  8. Patrick W. Fowler
    Pages 237-262
  9. Douglas J. Klein, Hongyao Zhu
    Pages 297-341
  10. Back Matter
    Pages 415-420

About this book


Even high-speed supercomputers cannot easily convert traditional two-dimensional databases from chemical topology into the three-dimensional ones demanded by today's chemists, particularly those working in drug design. This fascinating volume resolves this problem by positing mathematical and topological models which greatly expand the capabilities of chemical graph theory. The authors examine QSAR and molecular similarity studies, the relationship between the sequence of amino acids and the less familiar secondary and tertiary protein structures, and new topological methods.


carbon chemistry fullerenes inorganic chemistry structure topology

Editors and affiliations

  • Alexandru T. Balaban
    • 1
    • 2
  1. 1.Polytechnic UniversityBucharestRomania
  2. 2.Academia RomânăBucharestRomania

Bibliographic information

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