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Some Relationships between Molecular Energy-Topology and Symmetry

  • J. Gálvez
  • R. García-Domenech
  • J. V. de Julián-Ortiz
Part of the Mathematical and Computational Chemistry book series (MACC)

Abstract

Molecular Topology (M.T.) has demonstrated its efficiency in the prediction of many experimental parameters. The application of the topological indices to the prediction of pharmacological properties, and, above all, to its inverse problem, the drug design, is particularly interesting [1,2]. Several attempts to explain the reasons of such efficiency have been carried out [3,4]. So far, we are not close to a definitive answer.

Keywords

Topological Index Connectivity Index Niflumic Acid Symmetry Index Topological Distance 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer Science+Business Media New York 2001

Authors and Affiliations

  • J. Gálvez
    • 1
  • R. García-Domenech
    • 1
  • J. V. de Julián-Ortiz
    • 1
  1. 1.Unidad de Investigación de Diseño de Fármacos y Conectividad Molecular Sec. Dept. Química Física, Facultad de FarmaciaUniversitat de ValenciaSpain

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