Molecular graphs and the inverse Wiener index problem
نویسندگان
چکیده
منابع مشابه
Molecular graphs and the inverse Wiener index problem
In the drug design process, one wants to construct chemical compounds with certain properties. In order to establish the mathematical basis for the connections between molecular structures and physicochemical properties of chemical compounds, some so-called structure-descriptors or ”topological indices” have been put forward. Among them, the Wiener index is one of the most important. A long sta...
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The sum of distances between all pairs of vertices W (G) in a connected graph G as a graph invariant was first introduced by Wiener [9] in 1947. He observed a correlation between boiling points of paraffins and this invariant, which has later become known as Wiener index of a graph. Today, the Wiener index is one of the most widely used descriptors in chemical graph theory. Due to its strong co...
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Chemical compounds and drugs are often modeled as graphs where each vertex represents an atom of molecule, and covalent bounds between atoms are represented by edges between the corresponding vertices. This graph derived from a chemical compounds is often called its molecular graph, and can be different structures. In this paper, we determine the logarithm multiplicative Wiener index and recipr...
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ژورنال
عنوان ژورنال: Discrete Applied Mathematics
سال: 2009
ISSN: 0166-218X
DOI: 10.1016/j.dam.2008.06.008