Concepedia

Molecular quantum similarity measures and <i>N</i>‐dimensional representation of quantum objects. I. Theoretical foundations

Blanca Calabuig

International Journal of Quantum Chemistry · 1992 · 129 citations · 16 references

DOI

Concepts

Abstract

Abstract A conceptual general definition of quantum similarity and similarity indices are given. The interpretation of molecular similarity from a quantum theoretical point of view is analyzed. Various approximations are also discussed.

References

16

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How similar is a molecule to another? An electron density measure of similarity between two molecular structures

Ramon Carbó‐Dorca, Luis Leyda, Mariano Arnau · International Journal of Quantum Chemistry · 1980 · 695 citations

, , +14