Background: Simultaneous determination of medication components in pharmaceutical samples using ordinary methods have some difficulties and therefore these determinations usually were made by expensive methods and instruments. Chemometric methods are an effective way to analyze several components simultaneously.
Objective: In this paper, a novel approach based on Bayesian regularized artificial neural network is developed for the determination of Loratadine, Naproxen, and Diclofenac in water using UV-Vis spectroscopy.
Methods: A dataset is collected by performing several chemical experiments and recording the UV-Vis spectra and actual constituent values. The effect of a different number of neurons in the hidden layer was analyzed based on final mean square error, and the optimum number was selected. Principle Component Analysis (PCA) was also applied to the data. Other back-propagation methods, such as Levenberg-Marquardt, scaled conjugate gradient, and resilient backpropagation, were tested.
Results: In order to see the proposed network performance, it was performed on two crossvalidation methods, namely partitioning data into train and test parts, and leave-one-out technique. Mean square errors between expected results and predicted ones implied that the proposed method has a strong ability in predicting the expected values.
Conclusion: The results showed that the Bayesian regularization algorithm has the best performance among other methods for simultaneous determination of Loratadine, Naproxen, and Diclofenac in water samples.
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