Chemoenzymatic Synthesis Planning Guided by Reaction Type Score
Hongxiang Li, Xuan Liu, Guangde Jiang, Huimin Zhao
The paper introduces RTS-CESP, a method using a reaction type score to guide chemoenzymatic synthesis planning, outperforming existing tools and validating new routes for a drug.
Journal of Chemical Information and Modeling · Dec 9, 2024Peer-reviewedBioinformatics