Coding and Ordering Benzenoids and Their Kekulé Structures

  • Bono Lučić
  • Ante Miličević
  • Sonja Nikolić
  • Nenad Trinajstić
Chapter
Part of the Carbon Materials: Chemistry and Physics book series (CMCP, volume 5)

Abstract

The coding and ordering of benzenoids and their Kekulé structures is discussed. The Wiswesser coding and the binary boundary coding systems are delineated and illustrated. The Wiswesser codes are also used to order cata- and peri-condensed benzenoids. The concept of numeric Kekulé structure is used for coding and ordering Kekulé structures of cata-condensed benzenoids. In the case of peri-condensed benzenoids the numeric code of Kekulé structures is not discriminative enough since there are Kekulé structures with identical numeric codes. In that case an additional code is needed, and here we suggest the perimeter code.

Keywords

Linear Code Numeric Code Carbon Skeleton Lexicographic Order Mathematical Literature 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Notes

Acknowledgements

This report was supported by the Croatian Ministry of Science, Education and Sports by grants No. 098-1770495-2919 and No. 022-1770495-2901.

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Copyright information

© Springer Science+Business Media B.V. 2011

Authors and Affiliations

  • Bono Lučić
    • 1
  • Ante Miličević
    • 2
  • Sonja Nikolić
    • 1
  • Nenad Trinajstić
    • 1
  1. 1.The Rugjer Bošković InstituteZagrebCroatia
  2. 2.The Institute for Medical Research and Occupational HealthZagrebCroatia

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