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Hyperparameter Optimisation

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2 results in Keywords: Hyperparameter Optimisation

Theoretical and Computational Chemistry

QSARtuna: an automated QSAR modelling platform for molecular property prediction in drug design

Lewis Mervin, Alexey Voronov, Mikhail Kabeshov, Ola Engkvist

Version 2 posted 27 March 2024

1,324

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Theoretical and Computational Chemistry

Analyzing the Accuracy of Critical Micelle Concentration Predictions using Deep Learning

Alexander Moriarty, Takeshi Kobayashi, Matteo Salvalaglio, Panagiota Angeli, Alberto Striolo, Ian McRobbie

Version 3 posted 19 September 2023

375

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