Regression Machine Learning Models Used to Predict DFT-Computed NMR Parameters of Zeolites

Robin Gaumard, Dominik Dragún, Jesús N. Pedroza-Montero, Bruno Alonso, Hazar Guesmi, Irina Malkin Ondík, Tzonka Mineva. Regression Machine Learning Models Used to Predict DFT-Computed NMR Parameters of Zeolites. Computation, 10(5):74, 2022. [doi]

Abstract

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