Transformer Performance for Chemical Reactions: Analysis of Different Predictive and Evaluation Scenarios

[Image: see text] The prediction of chemical reaction pathways has been accelerated by the development of novel machine learning architectures based on the deep learning paradigm. In this context, deep neural networks initially designed for language translation have been used to accurately predict a...

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Detalles Bibliográficos
Autores principales: Jaume-Santero, Fernando, Bornet, Alban, Valery, Alain, Naderi, Nona, Vicente Alvarez, David, Proios, Dimitrios, Yazdani, Anthony, Bournez, Colin, Fessard, Thomas, Teodoro, Douglas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10091402/
https://www.ncbi.nlm.nih.gov/pubmed/36952584
http://dx.doi.org/10.1021/acs.jcim.2c01407

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10091402/
https://www.ncbi.nlm.nih.gov/pubmed/36952584
http://dx.doi.org/10.1021/acs.jcim.2c01407

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