FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic Planning

Retrosynthetic planning aims to devise a complete multi-step synthetic route from starting materials to a target molecule. Current strategies use a decoupled approach of single-step retrosynthesis models and search algorithms, taking only the product as the input to predict the reactants for each pl...

Ausführliche Beschreibung

Bibliographische Detailangaben

Hauptverfasser:	Liu, Songtao, Tu, Zhengkai, Xu, Minkai, Zhang, Zuobai, Lin, Lu, Ying, Rex, Tang, Jian, Zhao, Peilin, Wu, Dinghao
Format:	Artikel
Sprache:	eng
Schlagworte:	Computer Science - Learning Physics - Chemical Physics Quantitative Biology - Biomolecules Quantitative Biology - Quantitative Methods
Online-Zugang:	Volltext bestellen
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!