The vertex version of detour index was defined during the works on connected graph in chemistry. The edge versions of detour index have been introduced ecently. In this paper, the explicit relations among edge versions of detour index have been declared and due to these relations, we compute the edge detour indices for some well-known graphs.

Let $G$ be a graph with vertex set $V(G)$ and edge set $E(G)$, and let $d_u$ denote the degree of vertex $u$ in $G$. The Randi'c index of $G$ is defined as${R}(G) =sum_{uvin E(G)} 1/sqrt{d_ud_v}.$In this paper, we investigate the relationships between Randi'cindex and several topological indices.

it is necessary to generate the automorphism group of a chemical graph in computer-aidedstructure elucidation. an euclidean graph associated with a molecule is defined by a weightedgraph with adjacency matrix m = [dij], where for i≠j, dij is the euclidean distance between thenuclei i and j. in this matrix dii can be taken as zero if all the nuclei are equivalent. otherwise,one may introduce dif...

The authors Miličević et al. introduced the reformulated Zagreb indices [1], which is a generalization of classical Zagreb indices of chemical graph theory. In this paper, we mainly consider the maximum and minimum for the first reformulated index of graphs with connectivity at most k. The corresponding extremal graphs are characterized.

In this paper we give a GAP program for computing the Szeged and the PI indices of any graph. Also we compute the Szeged and PI indices of VC(5)C(7) [ p,q] and HC(5)C(7) [ p,q] nanotubes by this program.

The concept of geometric−arithmetic indices (GA) was put forward in chemical graph theory very recently. In spite of this, several works have already appeared dealing with these indices. In this paper we present lower and upper bounds on the second geometric−arithmetic index (GA2) and characterize the extremal graphs. Moreover, we establish Nordhaus−Gaddum−type results for GA2.

The Zagreb indices are among the oldest and the most famous topological molecular structure-descriptors. The first Zagreb index is equal to the sum of the squares of the degrees of the vertices, and the second Zagreb index is equal to the sum of the products of the degrees of pairs of adjacent vertices of the respective graph. In this paper, we characterize the extremal graphs with maximal, sec...

During the last two decades a large number of numerical graph invariants (topological indices) have been defined and used for correlation analysis in theoretical chemisty, pharmacology, toxicology, and environmental chemistry. However, no systematic study has been undertaken to determine to what extent these indices are correlated with each other. In the present paper we have carried out a prin...

Chemical compounds and drugs are often modelled as graphs where each vertex represents an atom of molecule, and covalent bounds between atoms are represented by edges between the corresponding vertices. This graph derived from a chemical compounds is often called its molecular graph, and can be different structures. In this paper, by virtue of mathematical derivation, we determine the fourth, f...