Testing the quality of molecular structure descriptors. Vertex-degree-based topological indices
نویسندگان
چکیده
منابع مشابه
On discriminativity of vertex-degree-based indices
A recently published paper [T. Došlić, this journal 3 (2012) 25-34] considers the Zagreb indices of benzenoid systems, and points out their low discriminativity. We show that analogous results hold for a variety of vertex-degree-based molecular structure descriptors that are being studied in contemporary mathematical chemistry. We also show that these results are straightforwardly obtained by u...
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Let $G$ be a graph and let $m_{ij}(G)$, $i,jge 1$, be the number of edges $uv$ of $G$ such that ${d_v(G), d_u(G)} = {i,j}$. The {em $M$-polynomial} of $G$ is introduced with $displaystyle{M(G;x,y) = sum_{ile j} m_{ij}(G)x^iy^j}$. It is shown that degree-based topological indices can be routinely computed from the polynomial, thus reducing the problem of their determination in each particular ca...
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There is a natural linkage between the molecular structures and the bio-medical and pharmacology characteristics. A topological index can be considered as transformation of chemical structure in to real number and has been used as a predictor parameter. There are certain vertex-degree-based topological indices which has been used extensively in the chemical graph theory but recently no further ...
متن کاملVertex-degree-based molecular structure descriptors of benzenoid systems and phenylenes
1031 Vertex-degree-based molecular structure descriptors of benzenoid systems and phenylenes IVAN GUTMAN* and BORIS FURTULA** Faculty of Science, University of Kragujevac, P. O. Box 60, 34000 Kragujevac, Serbia (Received 12 December 2011) Abstract. Several recently published papers report expressions for various vertex-degree-based molecular structure descriptors of benzenoid systems and phenyl...
متن کاملon discriminativity of vertex-degree-based indices
a recently published paper [t. došlić, this journal 3 (2012) 25-34] considers the zagrebindices of benzenoid systems, and points out their low discriminativity. we show thatanalogous results hold for a variety of vertex-degree-based molecular structure descriptorsthat are being studied in contemporary mathematical chemistry. we also show that theseresults are straightforwardly obtained by using...
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ژورنال
عنوان ژورنال: Journal of the Serbian Chemical Society
سال: 2013
ISSN: 0352-5139,1820-7421
DOI: 10.2298/jsc121002134g