Discovery of novel chemical reactions by deep generative recurrent neural network

The “creativity” of Artificial Intelligence (AI) in terms of generating de novo molecular structures opened a novel paradigm in compound design, weaknesses (stability & feasibility issues of such structures) notwithstanding. Here we show that “creative” AI may be as successfully taught to enumer...

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Detalles Bibliográficos
Autores principales: Bort, William, Baskin, Igor I., Gimadiev, Timur, Mukanov, Artem, Nugmanov, Ramil, Sidorov, Pavel, Marcou, Gilles, Horvath, Dragos, Klimchuk, Olga, Madzhidov, Timur, Varnek, Alexandre
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7862614/
https://www.ncbi.nlm.nih.gov/pubmed/33542271
http://dx.doi.org/10.1038/s41598-021-81889-y

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7862614/
https://www.ncbi.nlm.nih.gov/pubmed/33542271
http://dx.doi.org/10.1038/s41598-021-81889-y

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