Given a simple connected undirected graph G, the Wiener index W (G) of G is defined as half the sum of the distances over all pairs of vertices of G. In practice, G corresponds to what is known as the molecular graph of an organic compound. We obtain a sharp lower bound for W (G) of an arbitrary graph in terms of the order, size and diameter of G.

mathematical chemistry is a branch of theoretical chemistry for discussion and prediction of the molecular structure using mathematical methods without necessarily referring to quantum mechanics. in theoretical chemistry, distance-based molecular structure descriptors are used for modeling physical, pharmacologic, biological and other properties of chemical compounds. the wiener polarity index ...

Investigation of asymptotic properties of a statistical estimator or of a testing statistic often leads to a linear transformation of a Wiener process that born a Wiener process or a Brownian bridge. Let us recall some typical examples of such transformations. Provided a Wiener process (W(t) , £ > 0) the processes (^W(a • t) ,t > 0), a T-: 0 and (tW(\) , £ > 0) are Wiener processes and (W(t) tW...

In theoretical chemistry, distance-based molecular structure descriptors are used for modeling physical, pharmacologic, biological and other properties of chemical compounds. We introduce a generalizedWiener polarity indexWk(G) as the number of unordered pairs of vertices {u, v} of G such that the shortest distance d(u, v) between u and v is k. For k = 3, we get standard Wiener polarity index. ...

The Wiener polarity indexWP (G) of a graph G is the number of unordered pairs of vertices {u, v} of G such that the distance of u and v is equal to 3. In this paper, we obtain the relation between Wiener polarity index and Zegreb indices, and the relation between Wiener polarity index and Wiener index (resp. hyper-Wiener index). Moreover, we determine the second smallest Wiener polarity index t...

Let W (G) and Sz(G) be the Wiener index and the Szeged index of a connected graph G. It is proved that if G is a connected bipartite graph of order n ≥ 4, size m ≥ n, and if ` is the length of a longest isometric cycle of G, then Sz(G) − W (G) ≥ n(m − n + ` − 2) + (`/2) − ` + 2`. It is also proved if G is a connected graph of order n ≥ 5 and girth g ≥ 5, then Sz(G) − W (G) ≥ PIv(G) − n(n − 1) +...

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 Schultz molecular topological index (MTI) is compared with the Wiener index (W) of a molecular graph. It is shown that 2VminW < MTI e 4VmaxW holds for any (connected) graph Γ, with Vmin and Vmax denoting the smallest and the largest valency, respectively, of the vertices of Γ. For molecular graphs these bounds can be further improved. For instance, for benzenoid systems we have the followin...

Chemical structures of organic compounds are characterized numerically by a variety of structural descriptors, one of the earliest and most widely used being the Wiener index W, derived from the interatomic distances in a molecular graph. Extensive use of such structural descriptors or topological indices has been made in drug design, screening of chemical databases, and similarity and diversit...