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AI-Driven Synthetic Route Design Incorporated with Retrosynthesis Knowledge

[Image: see text] Computer-aided synthesis planning (CASP) aims to assist chemists in performing retrosynthetic analysis for which they utilize their experiments, intuition, and knowledge. Recent breakthroughs in machine learning (ML) techniques, including deep neural networks, have significantly im...

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Detalles Bibliográficos
Autores principales: Ishida, Shoichi, Terayama, Kei, Kojima, Ryosuke, Takasu, Kiyosei, Okuno, Yasushi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8965881/
https://www.ncbi.nlm.nih.gov/pubmed/35258953
http://dx.doi.org/10.1021/acs.jcim.1c01074