University of Tartu, Institute of Chemistry, Molecular Technology (Estonia)
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Browsing University of Tartu, Institute of Chemistry, Molecular Technology (Estonia) by Title "A multicomponent QSPR approach to describe and predict gas-ionic liquid distribution of organic solutes using machine learning"

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Browsing University of Tartu, Institute of Chemistry, Molecular Technology (Estonia) by Title "A multicomponent QSPR approach to describe and predict gas-ionic liquid distribution of organic solutes using machine learning"

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Toots, K. M.; Sild, S.; Leis, J.; Acree, W. E.; Maran, U. A multicomponent QSPR approach to describe and predict gas-ionic liquid distribution of organic solutes using machine learning. J. Mol. Liq. 2025, 436, 128184.

Published: Karl Marti Toots, Sild, Sulev, Leis, Jaan, Acree, William E., Maran, Uko (2025-03-17)

Abstract: Ionic liquids are known as green solvents, which makes accurate prediction of gas–ionic liquid partition coefficients (log K) important from the perspective of various industrial applications. A gas–ionic liquid is a multicomponent system, but is usually modelled by the structural properties of one component, the solute. The integration of structural descriptors ...

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