Node-Aligned Graph-to-Graph: Elevating Template-free Deep Learning Approaches in Single-Step Retrosynthesis

• Lin Yao,
• Wentao Guo,
• Zhen Wang,
• Shang Xiang,
• Wentan Liu,
• Guolin Ke

Affiliations

Lin Yao

DP Technology, Beijing, China

Wentao Guo

Department of Chemistry, University of California, Davis, California, United States

Zhen Wang

DP Technology, Beijing, China

Shang Xiang

DP Technology, Beijing, China

Wentan Liu

DP Technology, Beijing, China

Guolin Ke

DP Technology, Beijing, China