3CLpro inhibitors: DEL-based molecular generation

Molecular generation (MG) via machine learning (ML) has speeded drug structural optimization, especially for targets with a large amount of reported bioactivity data. However, molecular generation for structural optimization is often powerless for new targets. DNA-encoded library (DEL) can generate...

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Detalles Bibliográficos
Autores principales: Xiong, Feng, Xu, Honggui, Yu, Mingao, Chen, Xingyu, Zhong, Zhenmin, Guo, Yuhan, Chen, Meihong, Ou, Huanfang, Wu, Jiaqi, Xie, Anhua, Xiong, Jiaqi, Xu, Linlin, Zhang, Lanmei, Zhong, Qijian, Huang, Liye, Li, Zhenwei, Zhang, Tianyuan, Jin, Feng, He, Xun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Pharmacology
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9768338/
https://www.ncbi.nlm.nih.gov/pubmed/36569316
http://dx.doi.org/10.3389/fphar.2022.1085665

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