Chemical graph
Certain Topological Indices and their Polynomials of Dendrimer Nanostars
... Abstract. Chemical graph theory is a branch of graph theory whose focus of interest is to finding topological indices of chemical graphs, which correlate well with chemical properties ...
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ON SUPER (a; d)-EAT VALUATION OF SUBDIVIDED CATERPILLAR
... Abdul Raheem is a Post Doctorate researcher fully supported by Punjab Higher Education Commission Lahore, Pakistan at Department of Mathematics, National University of Singapore, Singapore. He has received Ph.D. ...
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On the Acharya Index of Graph
... molecular graph theory, which was introduced by chemist Harold Wiener in 1947 and used it to determine physico-chemical properties of alkanes known as ...are chemical compounds exclusively composed ...
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The (a, b)-KA Indices of Polycyclic Aromatic Hydrocarbons and Benzenoid Systems
... A chemical graph is a graph such that vertices correspond to the atoms and the edges to the ...The graph indices are applied to measure the chemical characteristics of compounds in ...
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ABC Banhatti and Augmented Banhatti Indices of Chemical Networks
... molecular graph is a graph in which the vertices correspond to the atom and the edges to the bonds of a ...molecule. Chemical Graph Theory is a branch of Mathematical Chemistry which has an ...
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Trees with the greatest Wiener and edge-Wiener index
... If is acyclic and connected graph, then is a tree. Any tree with at least two vertices has at least two pendent vertices. The set of all −vertex trees is denoted by ( ). In chemical graph theory, a ...
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Degree Based Indices of Rhomtrees and Line Graph of Rhomtrees
... undirected graph. In the field of chemical graph theory and in mathematical chemistry, a topological index, also known as a connectivity index, is a type of a molecular descriptor that is calculated ...
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ECCENTRICITY BASED ZAGREB INDICES OF BISMUTH TRI-IODIDE
... a graph, where V is a non-empty set of vertices and E is a set of ...The chemical graph theory applies graph theory to mathematical modeling of molecular phenomena, which is helpful for the ...
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On multiplicative degree based topological indices of singlewalled titania nanotubes
... in chemical graph theory in which authors studied the chemical structures and calculated topological indices of some important chemical compounds like in paper ...
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On edge Co-PI indices
... of chemical graph theory and in also known as a connectivity index, is a type of a molecular descriptor that is calculated based on the molecular graph of a chemical compound ...a graph ...
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jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints
... After the feature generation step, the list of features can be mapped to a vectorial format. One possibility is to encode a set of features as a hashed fingerprint. Here, a unique identifier of a feature is used to ...
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On Relation between the Kirchhoff Index and Laplacian-Energy-Like Invariant of Graphs
... [3] B. Borovićanin, K. C. Das, B. Furtula, I. Gutman, Zagreb indices: Bounds and Extremal graphs, In: Bounds in Chemical Graph Theory – Basics, I. Gutman, B. Furtula, K. C. Das, E. Milovanović, I. ...
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A line graph algorithm for clustering chemical structures based on common substructural cores
... line graph approach to clustering may better reflect the desired description of chemical graph similarity desired by many chemists (by focusing on how chemicals are similar in addition to the ...
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Computing two types of geometric-arithmetic indices of some benzenoid graphs
... adjacent". Chemical graph theory is an important branch of graph theory and Mathematical chemistry, which applies graph theory to mathematical modeling of chemical phenomena [7, 9, ...
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On K Indices of Graphs Gaussian Quadrature Rule
... simple graph with n vertices and m edges with vertex set V(G) and edge set ...molecular graph is a simple graph such that its vertices correspond to the atoms and the edges to the ...bonds. ...
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Chemical equation representation as directed graph
... described Chemical reactions by edge relabeling graph transformation rules, in which a substrate chemical graph is transformed into a product chemical graph by breaking existing ...
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The Vertex Degree Distance of the Extended Stars
... In chemical graph theory, the concept of topological index is introduced to characterize the structural properties of molecules, while the topological index of the distance between vertices of graph ...
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General Multiplicative Zagreb Indices of TUC4C8[m, n] and TUC4[m, n] Nanotubes
... molecular graph is a simple graph such that its vertices correspond to the atoms and the edges to the ...bonds. Chemical graph theory is a branch of mathematical chemistry which has an ...
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Ontology similarity measure algorithm based on KPCA and application in biology science
... As a data representation model, ontology has been widely used in biology science and chemical science, and proved to have a high efficiency. In this paper, we apply the trick of kernel principal component analysis ...
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The microwave assisted ionic liquid nanocomposite synthesis: platinum nanoparticles on graphene and the application on hydrogenation of styrene
... well-known chemical reactions, herein, we demonstrated then the catalytic hydrogenation capability of the Pt nanoparticles on graphene/graphite oxide for the nanocomposite to compare with that of the commercial ...
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