RetroSynX: A retrosynthetic analysis framework using hybrid reaction templates and group contribution-based thermodynamic models

Organic synthesis plays an essential role in the pharmaceutical industry. The drug synthesis route design is a critical decision step to convert raw materials to drug products. Traditionally, knowledge-based methods are commonly used for the design of the synthesis route. However, this type of method is expensive and time-consuming, which hinders the high-throughput design of the synthesis route. In this article, a retrosynthetic analysis...