The atom bond connectivity index of a graph is a new topological index was defined by E. Estrada as ABC(G)  uvE (dG(u) dG(v) 2) / dG(u)dG(v) , where G d ( u ) denotes degree of vertex u. In this paper we present some bounds of this new topological index.

We derive sharp lower bounds for the first and the second Zagreb indices (M1 and M2 respectively) for trees and chemical trees with the given number of pendent vertices and find optimal trees. M1 is minimized by a tree with all internal vertices having degree 4, while M2 is minimized by a tree where each “stem” vertex is incident to 3 or 4 pendent vertices and one internal vertex, while the res...

In chemical graph theory, distance-degree-based topological indices are expressions of the form ∑ u6=v F (deg(u), deg(v)), d(u, v)), where F is a function, deg(u) the degree of u, and d(u, v) the distance between u and v. Setting F to be (deg(u) + deg(v))d(u, v), deg(u)deg(v)d(u, v), (deg(u)+deg(v))d(u, v)−1, and deg(u)deg(v)d(u, v)−1, we get the degree distance index DD, the Gutman index Gut, ...

in theoretical chemistry, molecular structure descriptors are used to compute properties of chemical compounds. among them wiener, szeged and detour indices play significant roles in anticipating chemical phenomena. in the present paper, we study these topological indices with respect to their difference number.

We consider topological indices I that are sums of f(deg(u))f(deg(v)), where {u, v} are adjacent vertices and f is a function. The Randić connectivity index or the Zagreb group index are examples for indices of this kind. In earlier work on topological indices that are sums of independent random variables, we identified the correlation between I and the edge set of the molecular graph as the ma...

One of the most widely known topological index is the Wiener index. The Wiener Index Conjecture states that all positive integer numbers except a finite set are the Wiener indices of some trees. We explore the Wiener indices of the binary trees. We present efficient algorithms for generating the Wiener indices of the binary trees. Based on experiments we strengthen the conjecture for the class ...

the geometric-arithmetic index is another topological index was defined as2 deg ( )deg ( )( )deg ( ) deg ( )g guv eg gu vga gu v  , in which degree of vertex u denoted by degg (u). wenow define a new version of ga index as 4( )2 ε ( )ε ( )( )ε ( ) ε ( )g ge uv e g g gu vga g  u v , where εg(u) isthe eccentricity of vertex u. in this paper we compute this new topological index for twogr...

The intercorrelation between a series of physicochemical parameters and topological indices for a set of beta-blockers is investigated. Partition coefficients are calculated using the ClogP program, and the results are compared with previous data, both experimental and theoretical. These data are complemented by hydrophilicity and solubility calculations, together with the determination of mole...