Discovery of EP4 antagonists with image-guided explainable deep learning workflow

Discovery of EP4 antagonists with image-guided explainable deep learning workflow

In target-based drug design, the manual creation of a poor initial compound library, the time-consuming wet-laboratory experimental screening method, and the weak explainability of their activity against compounds significantly limit the efficiency of discovering novel therapeutics. Here we propose...

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Bibliographic Details
Main Authors: Ma Pengsen, Cheng Zhiyuan, Cheng Zhixiang, Wang Yijie, Chai Xiaolei, Feng Bo, Xiang Hongxin, Zeng Li, Liu Xueming, Li Pengyong, Wei Leyi, Zou Quan, Liu Mingyao, Zeng Xiangxiang, Lu Weiqiang
Format: Article
Language:English
Published: Science Press 2025-06-01
Series:National Science Open
Subjects:
drug discovery
PGE<sub>2</sub> receptor subtype 4
antagonist
deep learning
computer vision
Online Access:https://www.sciengine.com/doi/10.1360/nso/20240015
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