Substrate specific closed-loop optimization of carbohydrate protective group chemistry using Bayesian optimization and transfer learning
Natasha Videcrantz Faurschou, Rolf H. Taaning, Christian Pedersen
Abstract
N and benzoic anhydride, a new reagent combination for these reactions, discovered by the algorithm, demonstrating the power of this concept to widen the chemical space. Further, the developed procedures include ambient conditions and short reaction times.
Topics & Concepts
Bayesian optimizationReagentChemistryBayesian probabilityMonosaccharideRegioselectivityChemical spaceSubstrate (aquarium)Carbohydrate chemistryComputer scienceTransfer of learningCombinatorial chemistryOrganic chemistryArtificial intelligenceCatalysisDrug discoveryBiochemistryOceanographyGeologyCarbohydrate Chemistry and SynthesisChemical Synthesis and AnalysisGlycosylation and Glycoproteins Research