Results 31 to 40 of about 4,217,992 (292)
Chemical applications of the Laplacian spectrum. VI On the largest Laplacian eigenvalue of alkanes [PDF]
Journal of the Serbian Chemical Society, 2002 The largest Lapacian eigenvalue µ1 of the molecular graph is a quantity important in the theory of the photoelectron spectra of saturated hydrocarbons.
Gutman Ivan +2 more
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Molecules, 2022 Entropy is a thermodynamic function in chemistry that reflects the randomness and disorder of molecules in a particular system or process based on the number of alternative configurations accessible to them.
Muhammad Usman Ghani +5 more
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Molecular cartooning with knowledge graphs
Frontiers in Bioinformatics, 2022 Molecular “cartoons,” such as pathway diagrams, provide a visual summary of biomedical research results and hypotheses. Their ubiquitous appearance within the literature indicates their universal application in mechanistic communication. A recent survey of pathway diagrams identified 64,643 pathway figures published between 1995 and 2019 with 1,112,551
Brook E. Santangelo +3 more
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Testing the quality of molecular structure descriptors. Vertex-degree-based topological indices [PDF]
Journal of the Serbian Chemical Society, 2013 The correlation ability of 20 vertex-degree-based topological indices, occurring in the chemical literature, is tested for the case of standard heats of formation and normal boiling points of octane isomers. It is found that the correlation ability of
Gutman Ivan, Tošović Jelena
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, 2011 In this paper, we introduce ideal graph of a graph and study some of its properties. We characterize connectedness, isomorphism of graphs and coloring property of a graph using ideal graph.
Manoharan, R., Vasuki, R.
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Towards a Maude tool for model checking temporal graph properties [PDF]
, 2011 We present our prototypical tool for the verification of graph transformation systems. The major novelty of our tool is that it provides a model checker for temporal graph properties based on counterpart semantics for quantified m-calculi.
Lluch-Lafuente, Alberto +4 more
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Rigid Components in Molecular Graphs [PDF]
Algorithmica, 2007 We consider three-dimensional generic bar-and-joint realizations of squares of graphs. These graphs are also called molecular graphs due to their importance in the study of flexibility in molecules. The Molecular Conjecture, posed in 1984 by T.-S. Tay and W.
Bill Jackson, Tibor Jordán
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A graph rewriting programming language for graph drawing [PDF]
, 1998 This paper describes Grrr, a prototype visual graph drawing tool. Previously there were no visual languages for programming graph drawing algorithms despite the inherently visual nature of the process.
Rodgers, Peter
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Algorithmic graph theory for post-processing molecular dynamics trajectories [PDF]
, 2022 This paper reviews some of the graph theory-based methods that were recently developed in our group for post-processing molecular dynamics trajectories. We show that the use of algorithmic graph theory not only provides a direct and fast methodology to
Ylene, Aboulfath +3 more
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On Irregularity Measures of Some Dendrimers Structures
Mathematics, 2019 A graph is said to be a regular graph if all its vertices have the same degree, otherwise, it is irregular. Irregularity indices are usually used for quantitative characterization of the topological structure of non-regular graphs.
Wei Gao +4 more
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