From theory to experiment: transformer-based generation enables rapid discovery of novel reactions

Deep learning methods, such as reaction prediction and retrosynthesis analysis, have demonstrated their significance in the chemical field. However, the de novo generation of novel reactions using artificial intelligence technology requires further exploration. Inspired by molecular generation, we p...

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Detalles Bibliográficos
Autores principales: Wang, Xinqiao, Yao, Chuansheng, Zhang, Yun, Yu, Jiahui, Qiao, Haoran, Zhang, Chengyun, Wu, Yejian, Bai, Renren, Duan, Hongliang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2022
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9438336/
https://www.ncbi.nlm.nih.gov/pubmed/36056425
http://dx.doi.org/10.1186/s13321-022-00638-z

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9438336/
https://www.ncbi.nlm.nih.gov/pubmed/36056425
http://dx.doi.org/10.1186/s13321-022-00638-z

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