Retrosynthesis Prediction via Search in (Hyper) Graph

Predicting reactants from a specified core product stands as a fundamental challenge within organic synthesis, termed retrosynthesis prediction. Recently, semi-template-based methods and graph-edits-based methods have achieved good performance in terms of both interpretability and accuracy. However,...

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Hauptverfasser:	Lan, Zixun, Hong, Binjie, Zhu, Jiajun, Zeng, Zuo, Liu, Zhenfu, Yu, Limin, Ma, Fei
Format:	Artikel
Sprache:	eng
Schlagworte:	Computer Science - Artificial Intelligence Computer Science - Computational Engineering, Finance, and Science Computer Science - Learning Quantitative Biology - Quantitative Methods
Online-Zugang:	Volltext bestellen
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