From Trees (Dendrograms and Consensus Trees) to Topology
Croatian International Relations Review
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Title |
From Trees (Dendrograms and Consensus Trees) to Topology
Od stabala (dendograma i stabala usaglašavanja) do topologije |
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Creator |
Restrepo, Guillermo
Villaveces, José L. |
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Subject |
chemotopology; mathematical chemistry; topology; cluster analysis; dendrograms; consensus trees
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Description |
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.
Opisana je metodologija koja topologiju pridružuje kemijski zanimljivim skupovima, i to tako da se definiciji takvih skupova kao grupe elemenata doda još relacija susjedstva, što se grafički opisuje dendogramom (stablom). Dalje je prikazan topološki postupak koji omogućava računanje niza topoloških svojstava, uključivo zatvorenost i granice kemijskih skupova, a koji postupak je onda primjenjen na 72 kemijska elementa, 31 steroida, 250 benzimidazola i 20 amino kiselina. |
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Publisher |
Croatian Chemical Society
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Date |
2005
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Type |
text
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion |
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Format |
application/pdf
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Identifier |
https://hrcak.srce.hr/22
https://hrcak.srce.hr/file/22 |
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Source |
Croatica Chemica Acta
ISSN 0011-1643 (Print) ISSN 1334-417X (Online) Volume 78 Issue 2 |
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Language |
eng
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Rights |
info:eu-repo/semantics/openAccess
Croatica Chemica Acta is at the highest possible level of Open Access, meaning that all content is immediately and freely available to anyone, anywhere, to be downloaded, printed, distributed, read, reused, self archived, and re-mixed (including commercially) without restriction, as long as the author and the original source are properly at-tributed according to the Creative Commons Attribution 4.0 International License (CC BY). The author(s) hold the copyright and retain publishing rights without restrictions. CC BY (Creative Commons Attribution) is the most accommodating of public copyright licenses as defined by Creative Commons, a nonprofit organization that provides legal tools for sharing and use of creative works and research. The CC BY license is recommended for maximum dissemination and use of licensed materials. All content published in Croatica Chemica Acta is available under CC BY, meaning anyone is free to use and reuse the content provided the original source and authors are credited. The copyright is held and retained. The author(s) hold the copyright without restrictions. CC BY is the appropriate license for publicly funded research; it maximizes the potential for both economic and scholarly impact, protects the rights of authors and strengthens the long-standing tradition of appropriate attribution and credit for scholarship. |
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