Ovanes G. Mekenyan

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Because of their widespread occurrence and substantial biological activity, halogenated aromatic hydrocarbons such as polychlorinated biphenyls (PCBs), polychlorinated dibenzofurans (PCDFs), and polychlorinated dibenzo-p-dioxins (PCDDs) comprise one of the more important classes of contaminants in the environment. Some chemicals in this class cause adverse(More)
An improvement in the algorithm for assigning vertex(es) as graph center(s) is achieved on the basis of the distances between vertexes and between edges, as well as proceeding from the vertex-edge incidence. The iterative vertex and edge centricities (IVEC) algorithm produces assignments that are in better agreement with the intuitive notion of graph center(More)
A new approach for coverage of the conformational space by a limited number of conformers is proposed. Instead of using a systematic search whose time complexity increases exponentially with degrees of freedom, a genetic algorithm (GA) is employed to minimize 3D similarity among the conformers generated. This makes the problem computationally feasible even(More)
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