Neural Network Modeling Used As a Chemometric Tool for Kinetic Investigations

Mushini Venkata Subba Rao*, Veluri Ananta Ramam†, Volety Muralidhara Rao† and R. Samba Siva Rao†

Department of Chemistry, G.M.R. Institute of Technology, Rajam-532 127, India E-mail: †School of Chemistry, Andhra University, Visakhapatnam-530 003, India.


General introduction on neural networks (NN), including its origin and chronological development are presented. The features of neural networks in terms of architecture, transfer function, training algorithm and the popular neural network packages are presented. Neural network modeling and other polynomial models applied to under stand on the effect of hydrogen ion on the oxidation of kinetic reaction of Ru(CN)6 4- with MnO4 in perchloric acid medium. The data set is analyzed using the Trajan software. The obtained residual values with neural network (NN) modeling are far less than that in the polynomial model and also the calculated kNN values are better correlated with kobsd values.


Neural networks, Kinetics, Chemometrics, Polynomial model, Residual values.

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  • Asian J. Chem. /
  •  2010 /
  •  22(8) /
  •  pp 5937-5950