On topological indices of Molecular graphs;

by Senbagamalar J

Institution: Anna University
Department: On topological indices of Molecular graphs
Year: 2015
Keywords: Molecular graph; quantitative structure activity relationships
Record ID: 1193957
Full text PDF: http://shodhganga.inflibnet.ac.in/handle/10603/33720


The representation of an object giving information only about the newlinenumber of elements composing it and their connectivity is named as newlinetopological representation of an object A topological representation of a newlinemolecule is called molecular graph A molecular graph is a simple undirected newlineand connected graph G V E which represents the topological structure of newlinea chemical compound The collection of points represents the atoms in the newlinemolecule and set of lines represents the covalent bonds These points are newlinenamed as vertices and the lines are named as edges in the language of graph newlinetheory Topological indices are used in the development of quantitative newlinestructure activity relationships QSAR in which the biological activity or newlineother properties of molecules are correlated with their chemical structure A newlinemolecular graph in which hydrogen atoms are not considered is called newlinehydrogen deleted graph newlineIn 1947 Wiener introduced two parameters These parameters were newlinedesigned for a specific purpose of correlating the boiling points of members newlineof the alkane series newline newline%%%reference p110-114.