Simultaneously improving reaction coverage and computational cost in automated reaction prediction tasks
Qiyuan Zhao, Brett M. Savoie
Topics & Concepts
Computer scienceBottleneckInitializationContext (archaeology)Convergence (economics)Reaction rateBiochemical engineeringChemistryEngineeringProgramming languageEconomicsBiochemistryBiologyCatalysisPaleontologyEconomic growthEmbedded systemMachine Learning in Materials ScienceComputational Drug Discovery MethodsProcess Optimization and Integration