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On the Topological Sense of Chemical Sets

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Abstract

We describe a mathematical methodology to endow a set of chemical interest with a topology. The procedure starts from a hierarchical classification of the set in a dendrogram (complete binary tree). Then, we cut “branches” of the tree by means of a mathematical procedure and we build up a basis for a topology with these branches. Finally, we show the way to calculate some topological properties, such as; closure, derived set, boundary, interior and exterior of subsets of chemical interest within the particular chemical set chosen at the beginning as object of study

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Authors and Affiliations

  1. Laboratorio de Química Teórica, Universidad de Pamplona, Ciudad Universitaria, Pamplona, Colombia

    Guillermo Restrepo

  2. Departamento de Matemáticas, Universidad del Valle, Edificio 320, Oficina, 3190, Cali, Colombia

    Héber Mesa

  3. Grupo de Química Teórica, Universidad Nacional de Colombia, Bogotá, Colombia

    José L. Villaveces

Authors
  1. Guillermo Restrepo
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  2. Héber Mesa
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  3. José L. Villaveces
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Corresponding author

Correspondence to Guillermo Restrepo.

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Restrepo, G., Mesa, H. & Villaveces, J.L. On the Topological Sense of Chemical Sets. J Math Chem 39, 363–376 (2006). https://doi.org/10.1007/s10910-005-9013-5

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  • DOI: https://doi.org/10.1007/s10910-005-9013-5

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