Molecular enumeration plays a basic role in the design of drugs, which has been studied by mathematicians, computer scientists, and chemists for quite a long time. Although many researchers are involved in developing enumeration algorithms specific to drug design systems, molecular enumeration is still a hard problem to date due to its exponentially increasing large search space with larger num...

Molecular structures and Drug-Drug Interactions (DDI) are recognized as important knowledge to guide medication recommendation (MR) tasks, medical concept embedding has been applied boost their performance. Though promising performance achieved by leveraging Graph Neural Network (GNN) models encode the molecular of medications or/and DDI, we observe that existing still defective: 1) differentia...

in this paper, we determine the degree distance of the complement of arbitrary mycielskian graphs. it is well known that almost all graphs have diameter two. we determine this graphical invariant for the mycielskian of graphs with diameter two.

the stability of a communication network composed of processing nodes and communication links is of prime importance to network designers. as the network begins losing links or nodes, eventually there is a loss in its effectiveness. thus, communication networks must be constructed to be as stable as possible, not only with respect to the initial disruption, but also with respect to the possible...

a multicone graph is defined to be join of a clique and a regular graph. a graph $ g $ is  cospectral with  graph $ h $ if their adjacency matrices have the same eigenvalues. a graph $ g $ is  said to be  determined by its spectrum or ds for short, if for any graph $ h $ with $ spec(g)=spec(h)$, we conclude that $ g $ is isomorphic to $ h $. in this paper, we present new classes of  multicone g...

Molecular chirality is actively researched in a variety of areas biology, including biochemistry, physiology, pharmacology, etc., and today many chiral compounds are widely known to exhibit biological properties. The molecular structure represented by graph structure. Therefore, the study mirror symmetry embedded S3 important natural sciences. A G said be intrinsically if no embedding ambient i...

For the edge e = uv of a graph G, let nu = n(u|G) be the number of vertices of G lying closer to the vertex u than to the vertex v and nv= n(v|G) can be defined simailarly. Then the ABCGG index of G is defined as ABC...

in this paper, the degree distance and the gutman index of the corona product of two graphs are determined. using the results obtained, the exact degree distance and gutman index of certain classes of graphs are computed.

A molecular descriptor is a mathematical measure that associates graph with some real numbers and predicts the various biological, chemical, structural properties of underlying graph. Wiener (1947) Trinjastic Gutman (1972) used descriptors to find boiling point paraffin total π -electron energy molecules, respectively. F...

• Indexing techniques are essential in large scale subgraph searching. Three new indexing proposed, which leverage the use of bitmaps. Generic framework for filter-then-verify implementations on top Apache Spark. Evaluation shows that different indexes suitable query selectivities. A distributed approach is very databases and low selective queries. Subgraph searching an problem graph databases,...