engleski

Valence connectivity versus Randić, Zagreb and modified Zagreb index: A linear algorithm

Valence connectivity in molecular graphs is described by 10-tuples μ ij where μ ij denotes the number of edges connecting vertices of valences i and j. Shorter description is offered by 4-tuples containing 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 of them having at most 100 atoms. This result is achieved by development of an efficient algorithm which is linear in the number of 10-tuples.

acyclic molecule; index; molecular graph; Randić; valence connectivity; Zagreb

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