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

Simon Brezovnik, Niko Tratnik, Petra Žigert Pleteršek
2021 Mathematics  
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
more » ... known Wiener index and its weighted versions. By performing the non-linear regression analysis we predict boiling points of alkenes and alkadienes.
doi:10.3390/math9020153 fatcat:onygj4k35fhjhlwzurpfbagtam