نتایج جستجو برای: molecular graphs

تعداد نتایج: 731290  

Journal: :Journal of bioinformatics and computational biology 2013
Yang Zhao Morihiro Hayashida Jira Jindalertudomdee Hiroshi Nagamochi Tatsuya Akutsu

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...

Journal: :Proceedings of the ... AAAI Conference on Artificial Intelligence 2023

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...

Journal: :iranian journal of mathematical chemistry 2016
a. behtoei m. anbarloei

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.

Journal: :journal of algorithms and computation 0
d. moazzami university of tehran, college of engineering, department of engineering science

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...

Journal: :algebraic structures and their applications 2015
ali zeydi abdian s. morteza mirafzal

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...

Journal: :Discrete Applied Mathematics 2021

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...

Journal: :transactions on combinatorics 2015
v. sheeba agnes

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.

Journal: :Discrete Dynamics in Nature and Society 2021

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...

Journal: :Information Sciences 2021

• 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,...

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