Macrocyclization of linear molecules by deep learning to facilitate macrocyclic drug candidates discovery

Interest in macrocycles as potential therapeutic agents has increased rapidly. Macrocyclization of bioactive acyclic molecules provides a potential avenue to yield novel chemical scaffolds, which can contribute to the improvement of the biological activity and physicochemical properties of these mol...

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Detalles Bibliográficos
Autores principales: Diao, Yanyan, Liu, Dandan, Ge, Huan, Zhang, Rongrong, Jiang, Kexin, Bao, Runhui, Zhu, Xiaoqian, Bi, Hongjie, Liao, Wenjie, Chen, Ziqi, Zhang, Kai, Wang, Rui, Zhu, Lili, Zhao, Zhenjiang, Hu, Qiaoyu, Li, Honglin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10382584/
https://www.ncbi.nlm.nih.gov/pubmed/37507402
http://dx.doi.org/10.1038/s41467-023-40219-8

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