Generative deep learning enables the discovery of a potent and selective RIPK1 inhibitor
oleh: Yueshan Li, Liting Zhang, Yifei Wang, Jun Zou, Ruicheng Yang, Xinling Luo, Chengyong Wu, Wei Yang, Chenyu Tian, Haixing Xu, Falu Wang, Xin Yang, Linli Li, Shengyong Yang
| Format: | Article |
|---|---|
| Diterbitkan: | Nature Portfolio 2022-11-01 |
Deskripsi
Retrieval of a new starting active compound with a novel scaffold during early drug development is an important but challenging task. Here, the authors propose a generative deep learning model and by applying this model they discover a potent and highly selective RIPK1 inhibitor with a previously unreported scaffold.