Topological Indices Derived From Parts of a Universal Matrix
Anton Perdih*, Franc Perdih
Department of Chemistry
and Chemical Technology, University of Ljubljana, Aškerčeva 5, SI-1000
Using the approach of mutual contribution of vertices to the value of topological indices derived from parts of a universal matrix gave the idea how to develop new topological indices. Some of the newly developed indices are useful indices of Octane Numbers and of Critical Pressure of alkanes of equal carbon number, giving rise to abs(Rfit) > 0.99. Using them we estimated the missing data of Octane Numbers of 2,3-dimethyl butane and 2,2,3,3-tetramethyl butane, as well as of nonanes and decanes. The best analogous indices derived from the reverse variants of this universal matrix are in general less useful. Some types of newly developed indices are also useful for structural interpretation of several known indices.