نتایج جستجو برای: chemical graph theory

تعداد نتایج: 1277645  

Journal: :Discrete Applied Mathematics 1992
Vladimír Baláz Vladimir Kvasnicka Jiri Pospichal

Balai, V., V. KvasniEka and J. Pospichal, Two metrics in a graph theory modeling of organic chemistry, Discrete Applied Mathematics 35 (1992) 1-19. Two different metrics in the graph theory model of organic chemistry are defined. The chemical distance between two graphs (molecules) taken from the same family of isomeric graphs S, (where p is a number of vertices and q is a number of edges and l...

Journal: :Discrete Applied Mathematics 1988
Frank Harary Paul G. Mezey

In chemistry it has been a long established practice to represent molecules by graphs, with the constituent atoms and the interconnecting bonds taking the roles of vertices and edges, respectively. Whereas such representations contain a great amount of chemical information, and are of considerable value, nonetheless, they are in general insufficient to account for energy differences between var...

2003
Atsuko Yamaguchi Kiyoko F. Aoki Hiroshi Mamitsuka

Graph theory for chemical compounds is often studied for the fact that labeled graphs are suited to express the connectivity of chemical compounds [4]. However, in the field of chemoinformatics, methods using graph algorithms have not entered the mainstream because graph problems comparing two graphs are often intractable. For example, the problem of finding the maximum common subgraph of two g...

Journal: :iranian journal of optimization 2009
m. taleghani y. modabbernia

this article proposes an optimization model for preventing the waste of time in the educational and research activities' cycle of an organization such as a university. for this purpose and in order to increase efficiency and prevent the waste of time; the graph theory models have been used. the educational and research activities diagrams of a supposed university is drawn by the use of graphs t...

Journal: :molecular biology research communications 2015
sholeh ghorbani mojtaba tahmoorespur ali masoudi-nejad mohammad reza nasiri yazdan asgari

understanding cattle metabolism and its relationship with milk products is important in bovine breeding. a systemic view could lead to consequences that will result in a better understanding of existing concepts. topological indices and quantitative characterizations mostly result from the application of graph theory on biological data. in the present work, the enzyme network involved in cattle...

Journal: :journal of physical & theoretical chemistry 2015
h. aghaie m. monajjemi f. shafiei

the relationship between the randic , wiener, hosoya , balaban, schultz indices, harary numbers anddistance matrix to enthalpies of formation (airf), heat capacity, (cp) , enthalpies of combustion (ah °c ),enthalpy of vaporization (ah °vap) and normal boiling points (bpk)of c2 c10 normal alkanes isrepresented

Journal: :iranian journal of medical physics 0

introduction studying motility of biological objects is an important parameter in many biomedical processes. therefore, automated analyzing methods via microscopic videos are becoming an important step in recent researches. materials and methods in the proposed method of this article, a hypothesis testing function is defined to separate biological particles from artifact and noise in captured v...

In this research paper, we present a novel frame work for handling $m$-polar information by combining the theory of $m-$polar fuzzy  sets with graphs. We introduce certain types of edge regular $m-$polar fuzzy graphs and edge irregular $m-$polar fuzzy graphs. We describe some useful properties of edge regular, strongly edge irregular and strongly edge totally irregular $m-$polar fuzzy graphs. W...

2009
JOSE ANTONIO MARTIN

A theory about the implication structure in graph coloring is presented. Discovering hidden relations is a crucial activity in every scientific discipline. The development of mathematical models to study and discover such hidden relations is of the most highest interest. The main contribution presented in this work is a model of hidden relations materialized as implicitedges and implicit-identi...

Journal: :algebraic structures and their applications 2014
azizollah azad nafiseh elahinezhad

let $g$ be a non-abelian group and let $z(g)$ be the center of $g$. associate with $g$ there is agraph $gamma_g$ as follows: take $gsetminus z(g)$ as vertices of$gamma_g$ and joint two distinct vertices $x$ and $y$ whenever$yxneq yx$. $gamma_g$ is called the non-commuting graph of $g$. in recent years many interesting works have been done in non-commutative graph of groups. computing the clique...

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