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Quantifying structural complexity of graphs: Information measures in mathematical chemistry

  • Matthias Dehmer*
  • , Frank Emmert-Streib
  • , Yury Robertovich Tsoy
  • , Kurt Varmuza
  • *Corresponding author for this work
  • Private University for Health Sciences, Medical Informatics and Technology
  • Queen's University Belfast
  • Tomsk Polytechnic University
  • TU Wien

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

Abstract

In this chapter, we give a conceptional view about information measures for graphs which can be used to quantify their structural complexity. We focus on treating such measures in the context of mathematical chemistry but we want to mention that those are also applicable for arbitrary complex networks. Besides reviewing the most known information indices often used in chemical graph theory, we propose an information functional that is based on degree-degree associations in a graph. This leads us to a parametric graph entropy measure to quantify the structural information content of a graph. A brief numerical example shows how the measure can be calculated explicitly.

Original languageEnglish
Title of host publicationQuantum Frontiers of Atoms and Molecules
PublisherNova Science Publishers, Inc.
Pages479-497
Number of pages19
ISBN (Print)9781616681586
Publication statusPublished - 2011
Externally publishedYes

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