Jian-Guang Lou

Sep 7, 2023 | microsoft.com | Lei Fang |Brenda Potts |Jian-Guang Lou

Retrosynthesis analysis is a critical task in organic chemistry and central to many important industries. It primarily involves decomposing a target molecule into commercially available molecules step by step. Since synthesis strategies can be quite diverse and strategic, retrosynthesis planning with expert knowledge has long been considered an “art.”Recently, machine learning-based approaches have achieved promising results on this task, particularly in single-step retrosynthesis prediction.