Correlation ranking procedure for factor selection in PC-ANN modeling and application to aqueous Solubility evaluation

نویسند‌گان: A. Najafi ، S. Sobhan Ardakani
خلاصه مقاله:
A correlation ranking procedure is proposed for selection of factors in principal component-artificial neural network (PC-ANN). The model was applied in the aqueous Solubility (-logS) evaluation of diverse Organic molecules. Experimental values for the observed -logS values for organic molecules can range from about -0.380 (oxalic acid) to 10.410 (2,2',3,3',4,5,5',6,6'-PCB) -log units. Ten different Sh indices were calculated for each mol ...