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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...
Autores principales: | Mitrofanov, Artem A., Matveev, Petr I., Yakubova, Kristina V., Korotcov, Alexandru, Sattarov, Boris, Tkachenko, Valery, Kalmykov, Stepan N. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
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Materias: | |
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 |
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