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Weighted Wiener Indices of Molecular Graphs with Application to Alkenes and Alkadienes

Author

Listed:
  • Simon Brezovnik

    (Faculty of Natural Sciences and Mathematics, University of Maribor, 2000 Maribor, Slovenia
    Faculty of Education, University of Maribor, 2000 Maribor, Slovenia)

  • Niko Tratnik

    (Faculty of Natural Sciences and Mathematics, University of Maribor, 2000 Maribor, Slovenia)

  • Petra Žigert Pleteršek

    (Faculty of Natural Sciences and Mathematics, University of Maribor, 2000 Maribor, Slovenia
    Faculty of Chemistry and Chemical Engineering, University of Maribor, 2000 Maribor, Slovenia)

Abstract

There exist many topological indices that are calculated on saturated hydrocarbons since they can be easily modelled by simple graphs. On the other hand, it is more challenging to investigate topological indices for hydrocarbons with multiple bonds. The purpose of this paper is to introduce a simple model that gives good results for predicting physico-chemical properties of alkenes and alkadienes. In particular, we are interested in predicting boiling points of these molecules by using the well known Wiener index and its weighted versions. By performing the non-linear regression analysis we predict boiling points of alkenes and alkadienes.

Suggested Citation

  • Simon Brezovnik & Niko Tratnik & Petra Žigert Pleteršek, 2021. "Weighted Wiener Indices of Molecular Graphs with Application to Alkenes and Alkadienes," Mathematics, MDPI, vol. 9(2), pages 1-16, January.
    • Handle: RePEc:gam:jmathe:v:9:y:2021:i:2:p:153-:d:478879
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    References listed on IDEAS

    as
    1. Andova, Vesna & Orlić, Damir & Škrekovski, Riste, 2017. "Leapfrog fullerenes and Wiener index," Applied Mathematics and Computation, Elsevier, vol. 309(C), pages 281-288.
    2. Andrey A. Dobrynin & Andrei Yu Vesnin, 2019. "On the Wiener Complexity and the Wiener Index of Fullerene Graphs," Mathematics, MDPI, vol. 7(11), pages 1-17, November.
    Full references (including those not matched with items on IDEAS)

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