Artificial Intelligence for Retrosynthesis Prediction

In recent years, there has been a dramatic rise in interest in retrosynthesis prediction with artificial intelligence (AI) techniques. Unlike conventional retrosynthesis prediction performed by chemists and by rule-based expert systems, AI-driven retrosynthesis prediction automatically learns chemis...

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Bibliographic Details

Main Authors:	Yinjie Jiang, Yemin Yu, Ming Kong, Yu Mei, Luotian Yuan, Zhengxing Huang, Kun Kuang, Zhihua Wang, Huaxiu Yao, James Zou, Connor W. Coley, Ying Wei
Format:	Artigo
Language:	Inglês
Published:	Elsevier 2023-06-01
Series:	Engineering
Subjects:	Retrosynthesis prediction Artificial intelligence Graph neural networks Deep reinforcement learning
Online Access:	http://www.sciencedirect.com/science/article/pii/S2095809922005665
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