Group Contribution and Machine Learning Approaches to Predict Abraham Solute Parameters, Solvation Free Energy, and Solvation Enthalpy

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TitleGroup Contribution and Machine Learning Approaches to Predict Abraham Solute Parameters, Solvation Free Energy, and Solvation Enthalpy
Publication TypeJournal Article
Year of Publication2021
AuthorsChung Y, Vermeire FH, Wu H, Walker PJ, Abraham MH, Green WH
JournalJournal of Chemical Information and Modeling
Volume62
Pagination433-446
URLhttps://pubs.acs.org/doi/pdf/10.1021/acs.jcim.1c01103
DOI10.1021/acs.jcim.1c01103