Bouakkadia, Amel, Environmental and Food Safety Laboratory, Badji Mokhtar-Annaba University, BP. 12, 23000 Annaba and Abbes Laghrour University, Faculty of sciences and technology, Khenchela, Algeria
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Journal of the Serbian Chemical Society Vol. 84 No. 12 (2019) - Theoretical Chemistry
Quantitative structure–property relationship studies for the prediction of the vapor pressure of volatile organic compounds
Abstract PDF (715 kB) Supplementary Material (759 kB) The data set and the corresponding Experimental and predicted values of log p/kpa for the training and validation sets cover letter Williams plot: jackknifed residuals and leverages. Randomization test associated to previous QSPR model Cross-validation versus experimental log (pv/Pa) for the entire data set Relative contributions of the selected descriptors to the MLR model Suppl Mat Williams plot: jackknifed residuals and leverages. Randomization test associated to previous QSPR model Cross-validation versus experimental log (pv/Pa) for the entire data set Relative contributions of the selected descriptors to the MLR model THE PREDICTIVE QSPR MODEL Quantitative structure-property relationship studies for prediction vapor pressure of Volatile Organic Compounds CORRECTED VERSION OF THE MANUSCRIPT CORRECTED VERSION OF Supplimentary Material CORRECTED Fig.1. Williams plot jackknifed residuals and leverages CORRECTED Fig.2. Randomization test associated to previous QSPR model CORRECTED Fig.3. Plot of residual vs. experimental log (Vppa) for the entire data set Suppl Mat Suppl Mat