Chemical space deconstruction-based dynamic model ensemble architecture for molecular property prediction
Huaqiang Wen, Shihao Nan, Jun Zhang, Zhigang Lei, Weifeng Shen
Topics & Concepts
Chemical spaceComputer scienceDeconstruction (building)Stability (learning theory)Artificial intelligenceEnsemble learningArtificial neural networkBottleneckMachine learningEngineeringChemistryDrug discoveryEmbedded systemBiochemistryWaste managementComputational Drug Discovery MethodsSpectroscopy and Chemometric AnalysesMachine Learning in Materials Science