GATBoost: Mining graph attention networks-based important substructures of polymers for a better property prediction
Dazi Li, Yi Ru, Jun Liu
Topics & Concepts
PolymerProperty (philosophy)Materials scienceGraphPredictive modellingArtificial neural networkComputer scienceMachine learningArtificial intelligenceBiological systemData miningAlgorithmTheoretical computer scienceComposite materialEpistemologyPhilosophyBiologyMachine Learning in Materials ScienceComputational Drug Discovery MethodsAdvanced Graph Neural Networks