Machine learning-based discovery of molecules, crystals, and composites: A perspective review
Sangwon Lee, Ha-Eun Byun, Mujin Cheon, Jihan Kim, Jay H. Lee
Topics & Concepts
Perspective (graphical)Computer scienceProperty (philosophy)Bayesian optimizationArtificial intelligenceMachine learningBayesian networkArtificial neural networkEpistemologyPhilosophyMachine Learning in Materials ScienceComputational Drug Discovery MethodsX-ray Diffraction in Crystallography