Comparison Between Zagreb Eccentricity Indices and the Eccentric Connectivity Index, the Second Geometric-arithmetic Index and the Graovac-Ghorbani Index

The concept of Zagreb eccentricity indices was introduced in the chemical graph theory very recently. The eccentric connectivity index is a distance-based molecular structure descriptor that was used for mathematical modeling of biological activities of diverse nature. The second geometric-arithmetic index was introduced in 2010, is found to be useful tool in QSPR and QSAR studies. In 2010 Graovac and Ghorbani introduced a distance-based analog of the atom-bond connectivity index, the Graovac-Ghorbani index, which yielded promising results when compared to analogous descriptors. In this note we prove that for chemical trees T. For connected graph G of order n with maximum degree, it is proved that if and, otherwise. Moreover, we show that for paths and some class of bipartite graphs. This work is licensed under a Creative Commons Attribution 4.0 International License

Hyper-Zagreb indices of graphs and its applications

The first and second Hyper-Zagreb index of a connected graph $G$ is defined by $HM_{1}(G)=\sum_{uv \in E(G)}[d(u)+d(v)]^{2}$ and $HM_{2}(G)=\sum_{uv \in E(G)}[d(u).d(v)]^{2}$. In this paper, the first and second Hyper-Zagreb indices of certain graphs are computed. Also the bounds for the first and second Hyper-Zagreb indices are determined. Further linear regression analysis of the degree based indices with the boiling points of benzenoid hydrocarbons is carried out. The linear model, based on the Hyper-Zagreb index, is better than the models corresponding to the other distance based indices

Models for Antitubercular Activity of 5′-O-[(N-Acyl)sulfamoyl]adenosines

The relationship between topological indices and antitubercular activity of 5′-O-[(N-Acyl)sulfamoyl]adenosines has been investigated. A data set consisting of 31 analogues of 5′-O-[(N-Acyl)sulfamoyl]adenosines was selected for the present study. The values of numerous topostructural and topochemical indices for each of 31 differently substituted analogues of the data set were computed using an in-house computer program. Resulting data was analyzed and suitable models were developed through decision tree, random forest and moving average analysis (MAA). The goodness of the models was assessed by calculating overall accuracy of prediction, sensitivity, specificity and Mathews correlation coefficient. Pendentic eccentricity index – a novel highly discriminating, non-correlating pendenticity based topochemical descriptor – was also conceptualized and successfully utilized for the development of a model for antitubercular activity of 5′-O-[(N-Acyl)sulfamoyl]adenosines. The proposed index exhibited not only high sensitivity towards both the presence as well as relative position(s) of pendent/heteroatom(s) but also led to significant reduction in degeneracy. Random forest correctly classified the analogues into active and inactive with an accuracy of 67.74%. A decision tree was also employed for determining the importance of molecular descriptors. The decision tree learned the information from the input data with an accuracy of 100% and correctly predicted the cross-validated (10 fold) data with accuracy up to 77.4%. Statistical significance of proposed models was also investigated using intercorrelation analysis. Accuracy of prediction of proposed MAA models ranged from 90.4 to 91.6%

Survey on topological indices and graphs associated with a commutative ring

The researches on topological indices are initially related to graphs obtained from biological activities or chemical structures and reactivity. Recently, the research on this topic has evolved on graphs in general and even on graphs obtained from algebraic structures, such as groups, rings or modules. This paper will present various topological index concepts, various graph concepts obtained from a commutative ring and some previous studies that are relevant to those two concepts. Based on the various concepts presented, research topics related to topological indices of a graph associated with a commutative ring can be found and carried out

Some Topological Indices of Subgroup Graph of Symmetric Group

The concept of the topological index of a graph is increasingly diverse because researchers continue to introduce new concepts of topological indices. Researches on the topological indices of a graph which initially only examines graphs related to chemical structures begin to examine graphs in general. On the other hand, the concept of graphs obtained from an algebraic structure is also increasingly being introduced. Thus, studying the topological indices of a graph obtained from an algebraic structure such as a group is very interesting to do. One concept of graph obtained from a group is subgroup graph introduced by Anderson et al in 2012 and there is no research on the topology index of the subgroup graph of the symmetric group until now. This article examines several topological indices of the subgroup graphs of the symmetric group for trivial normal subgroups. This article focuses on determining the formulae of various Zagreb indices such as first and second Zagreb indices and co-indices, reduced second Zagreb index and first and second multiplicatively Zagreb indices and several eccentricity-based topological indices such as first and second Zagreb eccentricity indices, eccentric connectivity, connective eccentricity, eccentric distance sum and adjacent eccentric distance sum indices of these graphs