Defining and Exploring Chemical Spaces
Connor W. Coley
Topics & Concepts
Chemical spaceComputer scienceOperationalizationBayesian optimizationProperty (philosophy)Process (computing)Artificial intelligenceMachine learningBiochemical engineeringData scienceDrug discoveryBioinformaticsEngineeringBiologyOperating systemPhilosophyEpistemologyComputational Drug Discovery MethodsMachine Learning in Materials ScienceChemistry and Chemical Engineering