Croatica Chemica Acta, Vol. 77 No. 3, 2004.
Original scientific paper
Valence Connectivity versus Randić, Zagreb and Modified Zagreb Index: A Linear Algorithm to Check Discriminative Properties of Indices in Acyclic Molecular Graphs
Damir Vukičević
; Department of Mathematics, Faculty of Science, University of Split, Nikole Tesle 12, HR-21000 Split, Croatia
Ante Graovac
; Department of Chemistry, Faculty of Science, University of Split, Nikole Tesle 12, HR-21000 Split, Croatia
Abstract
Valence connectivity in molecular graphs is described by 10-tuples μij where μij denotes the number of edges connecting vertices of valences i and j. A shorter description is provided by 4-tuples containing the number of vertices and values of Randić, Zagreb and modified Zagreb indices. Surprisingly, these two descriptions are in one-to-one correspondence for all acyclic molecules of practical interest, i.e., for all those having no more than 100 atoms. This result was achieved by developing an efficient algorithm that is linear in the number of 10-tuples.
Keywords
valence connectivity; acyclic molecular graphs; topological indices
Hrčak ID:
102951
URI
Publication date:
25.10.2004.
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