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Open Quantum Systems Decoherence Quantum Chemistry

Facet diagrams for quantum similarity data.

PubMed
Authors: Robert D, Gironés X, Carbó-Dorca R

Year

1999

Paper ID

13422

Status

Peer-reviewed

Abstract Read

~2 min

Abstract Words

94

Citations

22

Abstract

The objective of this work is to demonstrate that an appropriate treatment of quantum similarity matrices can reveal hidden data grouping related to relevant structural features and even to biological properties of interest. Classical scaling is used here to extract the information contained in the similarity relationships between the elements of a molecular set. Facet theory is invoked to relate, in a qualitative way, the spatial regions to structural characteristics as well as to properties of interest. Two application examples are discussed: the Cramer steroid set and a benzene, toluene and xylene derivatives set.

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  • This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
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  • The objective of this work is to demonstrate that an appropriate treatment of quantum similarity matrices can reveal hidden data grouping related to relevant structural...

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References & Citation Signals

[1] DOI https://doi.org/10.1023/a:1008039618288 [2] Publisher https://pubmed.ncbi.nlm.nih.gov/10584218/

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External citation index: OpenAlex citation signal • updated 2026-10-21 18:08:05

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