Autonomous model-based experimental design for rapid reaction development
Sebastian Knoll, Clemens E. Jusner, Peter Sagmeister, Jason D. Williams, Christopher A. Hone, Martin Horn, C. Oliver Kappe
Abstract
To automate and democratize model-based experimental design for flow chemistry applications, we report the development of open-source software, Optipus. Reaction models are built in an iterative and automated fashion, for rapid reaction development.
Topics & Concepts
Computer scienceDevelopment (topology)Systems engineeringSoftware engineeringModel-based designSoftwareSimulationEngineeringProgramming languageMathematicsMathematical analysisInnovative Microfluidic and Catalytic Techniques InnovationOxidative Organic Chemistry ReactionsScientific Computing and Data Management