Exploring Optimal Reaction Conditions Guided by Graph Neural Networks and Bayesian Optimization

[Image: see text] The optimization of organic reaction conditions to obtain the target product in high yield is crucial to avoid expensive and time-consuming chemical experiments. Advancements in artificial intelligence have enabled various data-driven approaches to predict suitable chemical reactio...

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Detalles Bibliográficos
Autores principales: Kwon, Youngchun, Lee, Dongseon, Kim, Jin Woo, Choi, Youn-Suk, Kim, Sun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9753507/
https://www.ncbi.nlm.nih.gov/pubmed/36530311
http://dx.doi.org/10.1021/acsomega.2c05165

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9753507/
https://www.ncbi.nlm.nih.gov/pubmed/36530311
http://dx.doi.org/10.1021/acsomega.2c05165

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