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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
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Springer International Publishing
2021
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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 |