In this research paper, we will compute the topological indices (degree based) such as ordinary generalized geometric-arithmetic (OGA) index, first and second Gourava indices, hyper-Gourava general Randic´ index R γ G ,</mo...

a series of structurally related 2,4-dioxopyrimidine-1-carboxamide derivatives as highly potent inhibitors against acid ceramidase were subjected to hologram quantitative structure-activity relationship (hqsar) analysis. a training set containing 24 compounds served to establish the hqsar model. the best hqsar model was generated using atoms, bond, connectivity, donor and acceptor as fragment d...

Topological indices are the mathematical tools that correlate the chemical structure with various physical properties, chemical reactivity or biological activity numerically. A topological index is a function having a set of graphs as its domain and a set of real numbers as its range. In QSAR/QSPR study, a prediction about the bioactivity of chemical compounds is made on the basis of physico-ch...

The atom-bond connectivity index—abbreviated ABC—has proven to describe the heat of formation of alkanes with an accuracy comparable to that of high-level ab initio and DFTmethods. Its physical interpretation in terms of quantumtheory, its generalization, and many of its mathematical properties have been reported. Here, a probabilistic interpretation of the generalized ABC index is provided. It...

Topological indices are empirical features of graphs that characterize the topology graph and, for most part, independent. An important branch theory is chemical theory. In theory, atoms corresponds vertices and edges covalent bonds. A topological index a numeric number represents underline structure. this article, we examined properties prism octahedron network dimension <math xmlns="http://ww...

The atom-bond connectivity (ABC) index of a graph ( , ) G V E is defined as ( ) [ ( ) ( ) 2] / [ ( ) ( )] uv E ABC G d u d v d u d v , where ( ) d u denotes the degree of vertex u of G . This recently introduced molecular structure descriptor found interesting applications in the study of the thermodynamic stability of acyclic saturated hydrocarbons, and the strain energy of their cyclic congen...

0009-2614/$ see front matter 2008 Elsevier B.V. A doi:10.1016/j.cplett.2008.08.074 * Fax: +44 01234 264722. E-mail address: [email protected] Here we introduce a new topological approach which provides a good model for the stability of linear and branched alkanes as well as the strain energy of cycloalkanes. We find that the ratio of 1,3-interactions with respect to the total number of 1,2-, ...

The atom-bond connectivity (ABC) index is a degree-based molecular descriptor that found diverse chemical applications. Characterizing trees with minimum ABC-index remained an elusive open problem even after serious attempts and considered by some as one of the most intriguing problems in mathematical chemistry. In this paper, we describe exact structure extremal sufficiently many vertices show...