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Optimization of Artificial Neural Networks for Modeling of Atorvastatin and Its Impurities Retention in Micellar Liquid Chromatography

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Abstract

Artificial Neural Networks (ANNs) present a powerful tool for the modeling of chromatographic retention. In this paper, the main objective was to use ANNs as a tool in modeling of atorvastatin and its impurities’ retention in a micellar liquid chromatography (MLC) protocol. Factors referred to MLC were evaluated through 30 experiments defined by the Central Composite Design. In this manner, 5–x–3 topology as a starting point for ANNs’ optimization was defined too. In the next step, in order to set the network with the best performance, network optimization was done. In the first part, the number of nodes in the hidden layer and the number of experimental data points in training set were simultaneously varied, and their importance was estimated with suitable statistical parameters. Furthermore, a series of training algorithms was applied to the current network. The Back Propagation, Conjugate Gradient-descent, Quick Propagation, Quasi-Newton, and Delta-bar-Delta algorithms were used to obtain the optimal network. Finally, the predictive ability of the optimized neural network was confirmed through several statistical tests. The obtained network showed high ability to predict chromatographic retention of atorvastatin and its impurities in MLC.

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Acknowledgments

The authors thank to the Ministry of Science of the Republic of Serbia for supporting these investigations in the Project 172052.

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Authors and Affiliations

  1. Department of Drug Analysis, University of Belgrade, Faculty of Pharmacy, Vojvode Stepe 450, Belgrade, Serbia

    Anđelija Malenović, Biljana Jančić-Stojanović, Nađa Kostić & Darko Ivanović

  2. Department of Physical Chemistry and Instrumental Methods, University of Belgrade, Faculty of Pharmacy, Vojvode Stepe 450, Belgrade, Serbia

    Mirjana Medenica

Authors
  1. Anđelija Malenović
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  2. Biljana Jančić-Stojanović
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  3. Nađa Kostić
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  4. Darko Ivanović
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Correspondence to Biljana Jančić-Stojanović.

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Malenović, A., Jančić-Stojanović, B., Kostić, N. et al. Optimization of Artificial Neural Networks for Modeling of Atorvastatin and Its Impurities Retention in Micellar Liquid Chromatography. Chromatographia 73, 993–998 (2011). https://doi.org/10.1007/s10337-011-1994-6

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  • DOI: https://doi.org/10.1007/s10337-011-1994-6

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