title: The Vertex Version of Weighted Wiener Number for Bicyclic Molecular Structures.
abstract: Graphs are used to model chemical compounds and drugs. In the graphs, each vertex represents an atom of molecule and edges between the corresponding vertices are used to represent covalent bounds between atoms. We call such a graph, which is derived from a chemical compound, a molecular graph. Evidence shows that the vertex-weighted Wiener number, which is defined over this molecular graph, is strongly correlated to both the melting point and boiling point of the compounds. In this paper, we report the extremal vertex-weighted Wiener number of bicyclic molecular graph in terms of molecular structural analysis and graph transformations. The promising prospects of the application for the chemical and pharmacy engineering are illustrated by theoretical results achieved in this paper.
authors.affiliation: School of Information Science and Technology, Yunnan Normal University, Kunming 650500, China.
authors.forename: Wei
authors.initials: W
authors.lastname: Gao
authors.affiliation: Department of Mathematics, Zhejiang Normal University, Jinhua 321004, China.
authors.forename: Weifan
authors.initials: W
authors.lastname: Wang
mesh_terms: D001643:Bridged Bicyclo Compounds / Q000737:chemistry*; D019295:Computational Biology; D003196:Computer Graphics; D055641:Mathematical Concepts; D008956:Models, Chemical; D015394:Molecular Structure
chemical_list: D001643:Bridged Bicyclo Compounds