Cost-informed Bayesian reaction optimization
Alexandre A. Schoepfer, Jan Weinreich, Rubén Laplaza, Jérôme Waser, Clémence Corminbœuf
Abstract
, of buying equipment or compounds, waiting time, as well as environmental or security concerns. We believe CIBO extends the possibilities of BO in chemistry and envision applications for both traditional and self-driving laboratories for experiment planning.
Topics & Concepts
Bayesian probabilityBayesian optimizationComputer scienceArtificial intelligenceProcess Optimization and IntegrationMachine Learning in Materials ScienceInnovative Microfluidic and Catalytic Techniques Innovation