Artificial Intelligence for Retrosynthesis Prediction

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: Article
Language:English
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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http://www.sciencedirect.com/science/article/pii/S2095809922005665

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