Topological indices are the real number of a molecular structure obtained via molecular graph G. Topological indices are used for QSPR, QSAR and structural design in chemistry, nanotechnology, and pharmacology. Moreover, physicochemical properties such as the boiling point, the enthalpy of vaporization, and stability can be estimated by QSAR/QSPR models. In this study, the QSPR (Quantitative St...

A novel topological approach for obtaining a family of new molecular descriptors is proposed. In this connection, a vector space E (molecular vector space), whose elements are organic molecules, is defined as a “direct sum” of different R i spaces. In this way we can represent molecules having a total of i atoms as elements (vectors) of the vector spaces R i (i=1, 2, 3,..., n; where n is number...

A topological index of graph G is a numerical parameter related to G which characterizes its molecular topology and is usually graph invariant. In the field of quantitative structure-activity (QSAR)/quantitative structure-activity structure-property (QSPR) research, theoretical properties of the chemical compounds and their molecular topological indices such as the Randić connectivity index, at...

Nowadays, geospatial information systems (GIS) are widely used to solve different spatial problems based on various types of fundamental data: spatial, temporal, attribute and topological relations. Topological relations are the most important part of GIS which distinguish it from the other kinds of information technologies. One of the important mechanisms for representing topological relations...

let g and h be two graphs. the corona product g o h is obtained by taking one copy of gand |v(g)| copies of h; and by joining each vertex of the i-th copy of h to the i-th vertex of g,i = 1, 2, …, |v(g)|. in this paper, we compute pi and hyper–wiener indices of the coronaproduct of graphs.

The atom-bond connectivity (ABC) index is a recently introduced topological index, defined as ABC(G) = ∑ uv∈E(G) √ du+dv−2 dudv , where du (or dv) is the degree the vertex u (or v). The ABC index of benzenoid systems and phenylenes are computed, a simple relation is established between the atom-bond connectivity index of a phenylene and the corresponding hexagonal squeeze in this paper. Mathema...