Applicability Domain of Polyparameter Linear Free Energy Relationship Models Evaluated by Leverage and Prediction Interval Calculation
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DOI: 10.1021/acs.est.2c00865
Abstract: Polyparameter linear free energy relationships (PP-LFERs) are accurate and robust models employed to predict equilibrium partition coefficients (K) of organic chemicals. The accuracy of predictions by a PP-LFER depends on the composition of the respective… read more here.
Keywords: prediction interval; polyparameter linear; applicability domain; leverage prediction ... See more keywords