Explainable AI in drug discovery: self-interpretable graph neural network for molecular property prediction using concept whitening - researchr publication

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Michela Proietti, Alessio Ragno, Biagio La Rosa, Rino Ragno, Roberto Capobianco. Explainable AI in drug discovery: self-interpretable graph neural network for molecular property prediction using concept whitening. Machine Learning, 113(4):2013-2044, April 2024. [doi]

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