Discovering New Chemistry with an Autonomous Robotic Platform Driven by a Reactivity-Seeking Neural Network
Dario Caramelli, Jarosław M. Granda, S. Hessam M. Mehr, Dario Cambié, Alon Henson, Leroy Cronin
Abstract
carbon centers. An analysis reveals that this transformation is intrinsically unpredictable, demonstrating the possibility of a reactivity-first robotic discovery of unknown reaction methodologies without requiring human input.
Topics & Concepts
Reactivity (psychology)Chemical spaceReagentComputer scienceChemistryCombinatorial chemistryBiochemical engineeringChemical reactionArtificial neural networkSubstrate (aquarium)Biological systemArtificial intelligenceDrug discoveryOrganic chemistryBiologyPathologyEcologyAlternative medicineEngineeringMedicineBiochemistryMachine Learning in Materials ScienceInnovative Microfluidic and Catalytic Techniques InnovationComputational Drug Discovery Methods