Complexity of Molecules

Journal of Chemical Information and Computer Sciences

Volumn 40, Issue 4, 2000, Pages 920-926

  Nikolić, Sonja ^a   Trinajstić, Nenad ^a   Tolić, Iva Marija ^a,b  

^a RUDER BO KOVI INSTITUTE   (Croatia)

^b HARVARD SCHOOL OF PUBLIC HEALTH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000226215     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci9901183     Document Type: Article

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61. Branching is reflected in the vertex degrees higher than 2; trees with vertex degrees 1 and 2 are not branched.
62. Symmetry is reflected in the number of symmetry-nonequivalent vertexes.
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64. One can look upon cyclicity as a kind of structural change resembling branching in that the values of degrees of some vertexes within the cycle increase from 2 to 3 and higher at the sites of bridging cycle. This structural characteristic has been named (Bonchev, D. Kolmogorov's Information, Shannon's Entropy, and Topological Complexity of Molecules. Bulg. Chem. Comm. 1995, 28, 567-582) an internal branching. Therefore, the degree of a vertex in a cycle can increase either by cyclization (the internal branching) or by attaching it to acyclic (the external branching) or cyclic (spiro-cycles) fragments.