Navigating through the Maze of Homogeneous Catalyst Design with Machine Learning
Gabriel dos Passos Gomes, Robert Pollice, Alán Aspuru‐Guzik
Topics & Concepts
CatalysisHomogeneous catalysisPopulationHomogeneousAb initioField (mathematics)Biochemical engineeringChemistryArtificial intelligenceComputer scienceMachine learningPhysicsEngineeringMathematicsStatistical physicsOrganic chemistryPure mathematicsDemographySociologyMachine Learning in Materials ScienceComputational Drug Discovery MethodsCatalysis and Oxidation Reactions