Computer-assisted multistep chemoenzymatic retrosynthesis using a chemical synthesis planner
Karthik Sankaranarayanan, Klavs F. Jensen
Abstract
-Metalochlor and Vanillin), in a retrospective fashion. In addition to recovering published routes, the algorithm proposes many sensible alternative pathways. Our approach provides a chemoenzymatic synthesis planning strategy by identifying synthetic transformations that could be candidates for enzyme catalysis.
Topics & Concepts
Retrosynthetic analysisOrganic synthesisSpeciality chemicalsCommodity chemicalsChemistryBiochemical engineeringComputer scienceCombinatorial chemistryOrganic chemistryCatalysisTotal synthesisEngineeringEnzyme Catalysis and ImmobilizationMicrobial Metabolic Engineering and BioproductionPlant biochemistry and biosynthesis