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Applicability Domain of Polyparameter Linear Free Energy Relationship Models Evaluated by Leverage and Prediction Interval Calculation
[Image: see text] 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 calibration data set. Gene...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9069697/ https://www.ncbi.nlm.nih.gov/pubmed/35420030 http://dx.doi.org/10.1021/acs.est.2c00865 |