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Earth, Space, and Environmental Chemistry

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Theoretical and Computational Chemistry

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Roman Kern

3 results in Authors: Roman Kern

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

701

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1

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Theoretical and Computational Chemistry

PyChemFlow: an automated pre-processing pipeline in Python for reproducible machine learning on chemical data

Mario Lovrić, Tomislav Đuričić, Hussain Hussain, Bono Lučić, Roman Kern

Version 1 posted 20 July 2023

551

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1

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Earth, Space, and Environmental Chemistry

Understanding the True Effects of the COVID-19 Lockdown on Air Pollution by Means of Machine Learning

Mario Lovric, Kristina Pavlović, Matej Vuković, Stuart K. Grange, Michael Haberl, Roman Kern

Version 1 posted 14 August 2020

675

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