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

1980692 citationsJournal Article

Authors

Ramon Carbó‐Dorca · Institut Químic de Sarrià

Mariano Arnau · Institut Químic de Sarrià

Abstract

Abstract A matching measure between two molecular structures based on density functions is described. Some examples related with an alarm pheromone activity are given; the results encourage the possible use of similarity density concepts in molecular engineering.

Topics & Keywords

Molecular Junctions and Nanostructures Synthesis and Properties of Aromatic Compounds Advanced Chemical Physics Studies

Publication Details

Published in: International Journal of Quantum Chemistry

Volume 17, Issue 6, pp. 1185-1189

DOI: 10.1002/qua.560170612

Field-Weighted Citation Impact: 2.18

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

Authors

Abstract

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Publication Details