Bouakkadia, Amel, Laboratory of environmental and food safety, department of chemistry, Badji Mokhtar- Annaba university, PB12, 23000, Annaba University Abbes LAGHROUR Khenchela -BP 1252 Route de Batna Khenchela 40004, Algeria
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Journal of the Serbian Chemical Society Vol. 84 No. 6 (2019) - Theoretical Chemistry
Modeling of linear and nonlinear quantitative structure property relationships of the aqueous solubility of phenol derivatives
Abstract PDF (3.411 kB) Supplementary Material (1.92 MB) Linear and nonlinear quantitative structure property relationships modeling of aqueous solubility of phenol derivatives Linear and nonlinear quantitative structure property relationships modeling of aqueous solubility of phenol derivatives Linear and nonlinear quantitative structure property relationships modeling of aqueous solubility of phenol derivatives Suppl Mat reponse to reviewers Williams plots of the developed model Plot of predicted versus experimental aqueous solubility RMSE values depending on the number of neurons in the hidden layer Predicted values versus experimental values for training, validation and test sets Statistical parameter values for MLR and RNA models Relative contributions of the descriptors to the MLR model Linear and nonlinear quantitative structure property relationships modeling of aqueous solubility of phenol derivatives reponse to reviewers Williams plots of the developed model Plot of predicted versus experimental aqueous solubility Predicted values versus experimental values for training, validation and test sets equation 3