Enantioselectivity prediction of pallada-electrocatalysed C–H activation using transition state knowledge in machine learning
Li‐Cheng Xu, Johanna Frey, Xiaoyan Hou, Shuo‐Qing Zhang, Yanyu Li, João C. A. Oliveira, Shu-Wen Li, Lutz Ackermann, Xin Hong
Topics & Concepts
WorkflowChemical spaceArtificial intelligenceComputer scienceMachine learningOlefin fiberEnantioselective synthesisChemistryInterpretation (philosophy)Biochemical engineeringCatalysisOrganic chemistryDrug discoveryDatabaseEngineeringBiochemistryProgramming languageMachine Learning in Materials ScienceAsymmetric Hydrogenation and CatalysisSurface Chemistry and Catalysis