In this paper, we examine the uniqueness (discrimination power) of a newly proposed graph invariant based on the matrix DMAX defined by Randić et al. In order to do so, we use exhaustively generated graphs instead of special graph classes such as trees only. Using these graph classes allow us to generalize the findings towards complex networks as they usually do not possess any structural const...

It is necessary to generate the automorphism group of a chemical graph in computer-aided structure elucidation. An Euclidean graph associated with a molecule is defined by a weighted graph with adjacency matrix M = [dij], where for i≠j, dij is the Euclidean distance between the nuclei i and j. In this matrix dii can be taken as zero if all the nuclei are equivalent. Otherwise, one may introduce...

in this paper an algorithm for computing the balaban and randic indices of any simple connected graph was introduced. also these indices were computed for ipr c80 fullerene isomers, zigzag nanotubes and graphene by gap program.

Mosquitoes are a great threat to human health date and subject of interdisciplinary research involving scientists from many areas. Recently much attention has been put novel approaches mosquito repellent products that involve the use materials, such as carbon nanomaterials, where it is essential determine their properties. This discusses full molecular characterization nanotubes (CNTs) produced...

The Padmakar-Ivan (PI) index is a first-generation topological index (TI) based on sums over all edges between numbers of edges closer to one endpoint and numbers of edges closer to the other endpoint. Edges at equal distances from the two endpoints are ignored. An analogous definition is valid for the Wiener index W, with the difference that sums are replaced by products. A few other TIs are d...

We introduce a novel predictive statistical modeling technique called Hybrid Radial Basis Function Neural Networks (HRBF-NN) as a forecaster. HRBF-NN is a flexible forecasting technique that integrates regression trees, ridge regression, with radial basis function (RBF) neural networks (NN). We develop a new computational procedure using model selection based on information-theoretic principles...

Several different topological indices (the carbon number, the Wiener index, the Balaban dis­ tance sum connectivity index, the Randic molecular identification number, and the Randic molecular connectivity indices °/, 2%, 3̂ p and 3/ c) were employed in the correlation of the velocity of ultrasonic sound in a variety of alkane and alcohol species. Using linear regression analyses and published so...

Ines Pagel-Langenickel,* Daniel R. Schwartz,* Ross A. Arena, Diane C. Minerbi, D. Thor. Johnson, Myron A. Waclawiw, Richard O. Cannon III, Robert S. Balaban, Dorothy J. Tripodi, and Michael N. Sack Cardiology Branch, Laboratory of Cardiac Energetics and the Office of Biostatistics Research, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland; Department ...