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Complexity of molecules (CROSBI ID 86540)

Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija

Nikolić, Sonja ; Trinajstić, Nenad ; Tolić, Iva Marija Complexity of molecules // Journal of chemical information and computer sciences, 40 (2000), 4; 920-926. doi: 10.1021/ci9901183

Podaci o odgovornosti

Nikolić, Sonja ; Trinajstić, Nenad ; Tolić, Iva Marija

engleski

Complexity of molecules

Several currently used measures of the complexity of molecules, such as, for example, those by Bertz and Randić or those based on the number of spanning trees, are briefly reviewed. We also proposed as complexity measures the sum of vertex-weights and the sum of edge-weights and their variants related to partition of vertex-weights and edge-weights into classes by their numerical values. The vertex-weights considered are the squares of the vertex-degrees, and the edge-weights are products of vertex-degrees making up the edges. Comparison is made between considered complexity measures for selected molecular graphs. All considered indices increase with increasing size and cyclicity and most with increasing branching. However, they differ regarding the influence of symmetry.

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Podaci o izdanju

40 (4)

2000.

920-926

objavljeno

0095-2338

10.1021/ci9901183

Povezanost rada

Kemija

Poveznice
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