Generative deep learning enables the discovery of a potent and selective RIPK1 inhibitor

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 un...

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Bibliographic Details

Published in:	Nature Communications
Main Authors:	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
Language:	English
Published:	Nature Portfolio 2022-11-01
Online Access:	https://doi.org/10.1038/s41467-022-34692-w