Original scientific paper

From Trees (Dendrograms and Consensus Trees) to Topology

Guillermo Restrepo
José L. Villaveces

Abstract

We describe a methodology to endow a set of chemical interest with a topology. This procedure starts with the definition of the chemical set as a group of elements plus their neighborhood relationships. A graphical representation of these two conditions is a dendrogram (tree). Next, we show a mathematical procedure to build up a basis for a topology with which we can calculate several topological properties, such as: closures and boundaries of sets of chemical interest. We show four practical examples of this methodology: 72 chemical elements, 31 steroids, 250 benzimidazoles and 20 amino acids.

Keywords

chemotopology; mathematical chemistry; topology; cluster analysis; dendrograms; consensus trees

Hrčak ID:

22

URI

https://hrcak.srce.hr/22

Publication date:

15.6.2005.

Article data in other languages: croatian

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