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...

The number of connected components and the size of the largest connected component are studied under node and edge removal in the connectivity graph of the C. elegans nervous system. By studying the two subgraphs – the directed graph of chemical synapses and the undirected graph of electrical junctions – we observe that adding a small number of undirected edges dramatically reduces the number o...

Graph theory plays an important role for modelling and designing chemical structures complex networks. Chemical graph is commonly used to analyse comprehend networks, as well their features. In theory, a structure can be represented by vertices edges where denote atoms molecular bonds. The concept of resolvability parameters G= (V, E) relatively new advanced field in which the complete built so...

‎let $d_{n,m}=big[frac{2n+1-sqrt{17+8(m-n)}}{2}big]$ and‎ ‎$e_{n,m}$ be the graph obtained from a path‎ ‎$p_{d_{n,m}+1}=v_0v_1 cdots v_{d_{n,m}}$ by joining each vertex of‎ ‎$k_{n-d_{n,m}-1}$ to $v_{d_{n,m}}$ and $v_{d_{n,m}-1}$‎, ‎and by‎ ‎joining $m-n+1-{n-d_{n,m}choose 2}$ vertices of $k_{n-d_{n,m}-1}$‎ ‎to $v_{d_{n,m}-2}$‎. ‎zhang‎, ‎liu and zhou [on the maximal eccentric‎ ‎connectivity ind...

the order graph of a group $g$, denoted by $gamma^*(g)$, is a graph whose vertices are subgroups of $g$ and two distinct vertices $h$ and $k$ are adjacent if and only if $|h|big{|}|k|$ or $|k|big{|}|h|$. in this paper, we study the connectivity and diameter of this  graph. also we give a relation between the order graph and prime  graph of a group.

let f, g and h be non-empty graphs. the notation f → (g,h) means that if any edge of f is colored by red or blue, then either the red subgraph of f con- tains a graph g or the blue subgraph of f contains a graph h. a graph f (without isolated vertices) is called a ramsey (g,h)−minimal if f → (g,h) and for every e ∈ e(f), (f − e) 9 (g,h). the set of all ramsey (g,h)−minimal graphs is denoted by ...

The Jacobian matrix of a dynamic system and its principal minors play a prominent role in the study of qualitative dynamics and bifurcation analysis. When interpreting the Jacobian as an adjacency matrix of an interaction graph, its principal minors correspond to sets of disjoint cycles in this graph and conditions for various dynamic behaviors can be inferred from its cycle structure. For chem...

The chemical universe of molecules reachable from a set of start compounds by iterative application of a finite number of reactions is usually so vast, that sophisticated and efficient exploration strategies are required to cope with the combinatorial complexity. A stringent analysis of (bio)chemical reaction networks, as approximations of these complex chemical spaces, forms the foundation for...

Reliability Wiener number is a modification of the original Wiener number in which probabilities are assigned to edges yielding a natural model in which there are some (or all) bonds in the molecule that are not static. Various probabilities naturally allow modelling different types of chemical bonds because chemical bonds are of different types and it is well-known that under certain condition...

The Bertz indices, derived by counting the number of connecting edges of line graphs of a molecule were used in deriving the QSPR models for the physicochemical properties of alkanes. The inability of these indices to identify the hetero centre in a chemical compound restricted their applications to hydrocarbons only. In the present work, a novel molecular descriptor has been derived from the w...