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retrosynthesis planning

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2 results in Keywords: retrosynthesis planning

Organic Chemistry

Improve retrosynthesis planning with a molecular editing language

Jiacheng Xiong, Wei Zhang, Zunyun Fu, Jiatao Huang, Xiangtai Kong, Yitian Wang, Zhaoping Xiong, Mingyue Zheng

Version 1 posted 26 December 2023

820

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Theoretical and Computational Chemistry

Retrosynthetic Accessibility Score (RAscore) - Rapid Machine Learned Synthesizability Classification from AI Driven Retrosynthetic Planning

Amol Thakkar, Veronika Chadimova, Esben Jannik Bjerrum, Ola Engkvist, Jean-Louis Reymond

Version 1 posted 30 September 2020

832

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2

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