Title :
Application of RBF nerual network into the Kow of chemical contaminants
Author :
Jiang, Hui Yu ; Dong, Min ; Li, Wei
Author_Institution :
Dept. of Chem. Eng., Wuhan Univ. of Sci. & Eng., Wuhan, China
Abstract :
The octanol/water partition coefficient (Kow) is an important physical parameters to describe their behavior in the environment. However, because of some reasons, it is difficult to determine the octanol/water partition coefficient of each compound accurately. In this paper, we will introduce RBF neural network and molecular bond connectivity index to forecast the solubility of organic compounds in water. The result is better using the RBF network to predict, the correlation coefficient has achieved 1.000, the prediction error in the permission scope.
Keywords :
chemical engineering computing; organic compounds; radial basis function networks; RBF nerual network; chemical contaminants; molecular bond connectivity index; octanol; organic compounds; solubility; water partition coefficient; Flexible printed circuits; Chemical Contaminants; Kow; RBF Nerual Network;
Conference_Titel :
Environmental Science and Information Application Technology (ESIAT), 2010 International Conference on
Conference_Location :
Wuhan
Print_ISBN :
978-1-4244-7387-8
DOI :
10.1109/ESIAT.2010.5567200