3CLpro inhibitors: DEL-based molecular generation

• Main Authors: Feng Xiong (Author), Honggui Xu (Author), Mingao Yu (Author), Xingyu Chen (Author), Zhenmin Zhong (Author), Yuhan Guo (Author), Meihong Chen (Author), Huanfang Ou (Author), Jiaqi Wu (Author), Anhua Xie (Author), Jiaqi Xiong (Author), Linlin Xu (Author), Lanmei Zhang (Author), Qijian Zhong (Author), Liye Huang (Author), Zhenwei Li (Author), Tianyuan Zhang (Author), Feng Jin (Author), Xun He (Author)
• Format: Book
• Published: Frontiers Media S.A., 2022-12-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

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...