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Physical Chemistry

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2 results in Keywords: lasso

Theoretical and Computational Chemistry

Machine Learning in Prediction of Intrinsic Aqueous Solubility of Drug-like Compounds: Generalization, Complexity or Predictive Ability?

Mario Lovric, Kristina Pavlović, Petar Žuvela, Adrian Spataru, Bono Lučić, Roman Kern, Richard Ming Wah Wong

Version 1 posted 04 August 2020

695

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Physical Chemistry

Machine Learning-Based Model Selection and Parameter Estimation from Kinetic Data of Complex First-Order Reaction Systems

László Zimányi, Áron Sipos, Ferenc Sarlós, Rita Nagypál, Géza Groma

Version 1 posted 24 December 2020

530

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