Chemical structures of organic compounds are characterized numerically by a variety of structural descriptors computed either from the molecular graph or from the three-dimensional (3D) molecular geometry. Extensive use of such structural descriptors or topological indices has been made in drug design, screening of chemical databases, similarity and diversity assessment, and quantitative struct...

We describe the structure of connected graphs with the minimum and maximum average distance, radius, diameter, betweenness centrality, efficiency and resistance distance, given their order and size. We find tight bounds on these graph qualities for any arbitrary number of nodes and edges and analytically derive the form and properties of such networks.

We introduce the epidemic quasimetric on graphs and study its behavior with respect to clustering techniques. In particular we compare its behavior to known objects such as the graph distance, effective resistance, and modulus of curve families.

Let $D$ be a diameter and $d_G(v_i, v_j)$ be the distance between the vertices $v_i$ and $v_j$ of a connected graph $G$. The complementary distance signless Laplacian matrix of a graph $G$ is $CDL^+(G)=[c_{ij}]$ in which $c_{ij}=1+D-d_G(v_i, v_j)$ if $ineq j$ and $c_{ii}=sum_{j=1}^{n}(1+D-d_G(v_i, v_j))$. The complementary transmission $CT_G(v)$ of a vertex $v$ is defined as $CT_G(v)=sum_{u in ...

‎The Steiner distance of a graph‎, ‎introduced by Chartrand‎, ‎Oellermann‎, ‎Tian and Zou in 1989‎, ‎is a natural generalization of the‎ ‎concept of classical graph distance‎. ‎For a connected graph $G$ of‎ ‎order at least $2$ and $Ssubseteq V(G)$‎, ‎the Steiner‎ ‎distance $d(S)$ among the vertices of $S$ is the minimum size among‎ ‎all connected subgraphs whose vertex sets contain $S$‎. ‎Let $...

a set $wsubseteq v(g)$ is called a resolving set for $g$, if for each two distinct vertices $u,vin v(g)$ there exists $win w$ such that $d(u,w)neq d(v,w)$, where $d(x,y)$ is the distance between the vertices $x$ and $y$. the minimum cardinality of a resolving set for $g$ is called the metric dimension of $g$, and denoted by $dim(g)$. in this paper, it is proved that in a connected graph $...

The distance $d(u,v)$ between two vertices $u$ and $v$ of a graph $G$ is equal to the length of a shortest path that connects $u$ and $v$. Define $WW(G,x) = 1/2sum_{{ a,b } subseteq V(G)}x^{d(a,b) + d^2(a,b)}$, where $d(G)$ is the greatest distance between any two vertices. In this paper the hyper-Wiener polynomials of the Cartesian product, composition, join and disjunction of graphs are compu...

The commute distance between two vertices in a graph is the expected time it takes a random walk to travel from the first to the second vertex and back. We study the behavior of the commute distance as the size of the underlying graph increases. We prove that the commute distance converges to an expression that does not take into account the structure of the graph at all and that is completely ...