Kherouf, Soumaya, Laboratory of environmental and food safety, department of chemistry, Badji Mokhtar- Annaba university, PB12, 23000, Annaba, Algeria

• 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