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Rényi’s divergence as a chemical similarity criterion

In this work, a new version of Rényi’s divergence is presented. The expression obtained is used as a tool to identify molecules that could share some chemical or structural properties, and a data basis set of 1641 molecules is used in this study. Our results suggest that this new form of Rényi diver...

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Detalles Bibliográficos
Autor principal: Flores-Gallegos, N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8607974/
https://www.ncbi.nlm.nih.gov/pubmed/34840396
http://dx.doi.org/10.1007/s10910-021-01307-6