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Identifying uncertainty in physical–chemical property estimation with IFSQSAR

 

Collaborating Organization(s): ARC Arnot Research and Consulting, University of Toronto at Scarborough, University of Toronto

Keywords: QSPR, PPLFER, Abraham solvation model, Octanol–water partitioning, Henry’s Law constant, Solubility, Vapor pressure, Prediction uncertainty, Applicability domain, Chemical properties

Authors: Brown TN, Sangion A, Arnot JA