Valence connectivity versus Randic, Zagreb and modified Zagreb index: A linear algorithm to check discriminative properties of indices in acyclic molecular graphs
Damir Vukičević, Ante Graovac · Institutional Repository of the Ruđer Bošković Institute (Ruđer Bošković Institute) · 2004
Valence connectivity in molecular graphs is described by 10-tuples m ij where m ij 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 Randi}, 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.