Deep Learning Insights into Lanthanides Complexation Chemistry

Modern structure–property models are widely used in chemistry; however, in many cases, they are still a kind of a “black box” where there is no clear path from molecule structure to target property. Here we present an example of deep learning usage not only to build a model but also to determine key...

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Detalles Bibliográficos
Autores principales: Mitrofanov, Artem A., Matveev, Petr I., Yakubova, Kristina V., Korotcov, Alexandru, Sattarov, Boris, Tkachenko, Valery, Kalmykov, Stepan N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Communication
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8198800/
https://www.ncbi.nlm.nih.gov/pubmed/34072262
http://dx.doi.org/10.3390/molecules26113237

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8198800/
https://www.ncbi.nlm.nih.gov/pubmed/34072262
http://dx.doi.org/10.3390/molecules26113237

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