Bayesian reaction optimization as a tool for chemical synthesis
Benjamin J. Shields, Jason M. Stevens, Jun Li, Marvin Parasram, Farhan Damani, Jesus I. Martinez Alvarado, Jacob M. Janey, Ryan P. Adams, Abigail G. Doyle
Topics & Concepts
Bayesian optimizationComputer scienceMachine learningEngineering optimizationBayesian probabilityBenchmark (surveying)Artificial intelligenceOptimization problemAlgorithmGeographyGeodesyMachine Learning in Materials ScienceComputational Drug Discovery MethodsInnovative Microfluidic and Catalytic Techniques Innovation