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Machine Learning Quantitative Structure–Property Relationships as a Function of Ionic Liquid Cations for the Gas-Ionic Liquid Partition Coefficient of Hydrocarbons
Authors:Karl Marti Toots  Sulev Sild  Jaan Leis  William E. Acree  Jr.  Uko Maran
Affiliation:1.Department of Chemistry, University of Tartu, 14a Ravila Street, 50411 Tartu, Estonia; (K.M.T.); (S.S.); (J.L.);2.Department of Chemistry, University of North Texas, 1155 Union Circle Drive #305070, Denton, TX 76203, USA;
Abstract:
Keywords:Ionic liquid   QSPR   gas-ionic liquid partition coefficient   molecular interactions   support vector regression   gaussian process regression   multiple linear regression
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