A new method for ordering the vertices of moecular graphs


Zoița BerindeMădălina Berinde


Abstract

carpathian_1998_14_103_110_abstract

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carpathian_1998_14_103_110

In this paper a new algorithm GAMA, for intramolecular ordering of molecular graphs is described The algorithm is them applied for ordering acyclic connected graphs (trees) as well as cyclic molecular graphs. A set of ten  cyclic compact graphs has been considered in order to compare the results obtained by means of our algorithm on one hand to those obtained by means of others well-known procedures, IVEC and MOLCEN, on the other hand To define this new algorithm we use the concept of weighted electronic distance (d.e.p) introduced in [6].

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Berinde, Mădălina, Berinde, Zoița