Methodology for hyperparameter tuning of deep neural networks for efficient and accurate molecular property prediction
X. Nguyen, Y.A. Liu
Topics & Concepts
HyperparameterArtificial neural networkProperty (philosophy)Artificial intelligenceComputer scienceMachine learningDeep neural networksPhilosophyEpistemologyMachine Learning in Materials ScienceComputational Drug Discovery MethodsAnalytical Chemistry and Chromatography