GTI-space : the space of generalized topological indices

A new extension of the generalized topological indices (GTI) approach is carried out torepresent 'simple' and 'composite' topological indices (TIs) in an unified way. Thisapproach defines a GTI-space from which both simple and composite TIs represent particular subspaces. Accordingly, simple TIs such as Wiener, Balaban, Zagreb, Harary and Randićconnectivity indices are expressed by means of the same GTI representation introduced for composite TIs such as hyper-Wiener, molecular topological index (MTI), Gutman index andreverse MTI. Using GTI-space approach we easily identify mathematical relations between some composite and simple indices, such as the relationship between hyper-Wiener and Wiener index and the relation between MTI and first Zagreb index. The relation of the GTI space with the sub-structural cluster expansion of property/activity is also analysed and some routes for the applications of this approach to QSPR/QSAR are also given

Moments in graphs

Let $G$ be a connected graph with vertex set $V$ and a {\em weight function} $\rho$ that assigns a nonnegative number to each of its vertices. Then, the {\em $\rho$-moment} of $G$ at vertex $u$ is defined to be M_G^{\rho}(u)=\sum_{v\in V} \rho(v)\dist (u,v) , where \dist(\cdot,\cdot) stands for the distance function. Adding up all these numbers, we obtain the {\em $\rho$-moment of $G$}: M_G^{\rho}=\sum_{u\in V}M_G^{\rho}(u)=1/2\sum_{u,v\in V}\dist(u,v)[\rho(u)+\rho(v)]. This parameter generalizes, or it is closely related to, some well-known graph invariants, such as the {\em Wiener index} $W(G)$, when $\rho(u)=1/2$ for every $u\in V$, and the {\em degree distance} $D'(G)$, obtained when $\rho(u)=\delta(u)$, the degree of vertex $u$. In this paper we derive some exact formulas for computing the $\rho$-moment of a graph obtained by a general operation called graft product, which can be seen as a generalization of the hierarchical product, in terms of the corresponding $\rho$-moments of its factors. As a consequence, we provide a method for obtaining nonisomorphic graphs with the same $\rho$-moment for every $\rho$ (and hence with equal mean distance, Wiener index, degree distance, etc.). In the case when the factors are trees and/or cycles, techniques from linear algebra allow us to give formulas for the degree distance of their product

The First Zagreb Index, Vertex-Connectivity, Minimum Degree And Independent Number in Graphs

Let G be a simple, undirected and connected graph. Defined by M1(G) and RMTI(G) the first Zagreb index and the reciprocal Schultz molecular topological index of G, respectively. In this paper, we determined the graphs with maximal M1 among all graphs having prescribed vertex-connectivity and minimum degree, vertex-connectivity and bipartition, vertex-connectivity and vertex-independent number, respectively. As applications, all maximal elements with respect to RMTI are also determined among the above mentioned graph families, respectively

Explicit Relation between the Wiener Index and the Schultz Index of Catacondensed Benzenoid Graphs

The Wiener index (W) and the Schultz molecular topological index (MTI) are based on the distances between the vertices of chemical graphs. It is shown that MTI(G) = 5W(G) – (12h2 – 14h + 5) for an arbitrary catacondensed benzenoid graph G having h hexagons

The determinant of q-distance matrices of trees and two quantities relating to permutations

In this paper we prove that two quantities relating to the length of permutations defined on trees are independent of the structures of trees. We also find that these results are closely related to the results obtained by Graham and Pollak (Bell System Tech. J. 50(1971) 2495--2519) and by Bapat, Kirkland, and Neumann (Linear Alg. Appl. 401(2005) 193--209).Comment: 12 pages, 1 figur