Original scientific paper

On the Concept of Molecular Complexity

Milan Randić ; The Ruđer Bošković Institute, P.O.B. 180, HR-10002 Zagreb, Croatia
Dejan Plavšić ; The Ruđer Bošković Institute, P.O.B. 180, HR-10002 Zagreb, Croatia

Abstract

The previous measures of the complexity of graphs, and thence molecular graphs, have been mainly based on the information content of graphs. We argue here that the two concepts, the information content of a graph and the graph complexity, are distinctive and should be differentiated. We propose a new index of molecular complexity which takes into account not only the connectivity and the closely associated structural features of molecular structure (e.g., branching, cyclicity) but also the symmetry of a molecule as the basis for the partitioning of molecular components considered for construction of the complexity measure of a graph.

Keywords

complexity of graphs; molecular graphs; augmented valence complexity index (AVC)

Hrčak ID:

127488

URI

https://hrcak.srce.hr/127488

Publication date:

4.2.2002.

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