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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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2011
Authors
Malenović, Anđelija
Jančić-Stojanović, Biljana
Kostić, Nada
Ivanović, Darko
Medenica, Mirjana
Article (Published version)
Metadata
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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.

Keywords:
Micellar liquid chromatography / Artificial neural networks / Network's optimization / Atorvastatin / Impurities
Source:
Chromatographia, 2011, 73, 9-10, 993-998
Publisher:
  • Springer Heidelberg, Heidelberg
Funding / projects:
  • Modelling of different chromatographic systems with chemometrical approach in pharmaceutical analysis (RS-172052)

DOI: 10.1007/s10337-011-1994-6

ISSN: 0009-5893

WoS: 000289300500019

Scopus: 2-s2.0-79958250797
[ Google Scholar ]
14
12
URI
https://farfar.pharmacy.bg.ac.rs/handle/123456789/1521
Collections
  • Radovi istraživača / Researchers’ publications
Institution/Community
Pharmacy
TY  - JOUR
AU  - Malenović, Anđelija
AU  - Jančić-Stojanović, Biljana
AU  - Kostić, Nada
AU  - Ivanović, Darko
AU  - Medenica, Mirjana
PY  - 2011
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1521
AB  - 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.
PB  - Springer Heidelberg, Heidelberg
T2  - Chromatographia
T1  - Optimization of Artificial Neural Networks for Modeling of Atorvastatin and Its Impurities Retention in Micellar Liquid Chromatography
VL  - 73
IS  - 9-10
SP  - 993
EP  - 998
DO  - 10.1007/s10337-011-1994-6
ER  - 
@article{
author = "Malenović, Anđelija and Jančić-Stojanović, Biljana and Kostić, Nada and Ivanović, Darko and Medenica, Mirjana",
year = "2011",
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.",
publisher = "Springer Heidelberg, Heidelberg",
journal = "Chromatographia",
title = "Optimization of Artificial Neural Networks for Modeling of Atorvastatin and Its Impurities Retention in Micellar Liquid Chromatography",
volume = "73",
number = "9-10",
pages = "993-998",
doi = "10.1007/s10337-011-1994-6"
}
Malenović, A., Jančić-Stojanović, B., Kostić, N., Ivanović, D.,& Medenica, M.. (2011). Optimization of Artificial Neural Networks for Modeling of Atorvastatin and Its Impurities Retention in Micellar Liquid Chromatography. in Chromatographia
Springer Heidelberg, Heidelberg., 73(9-10), 993-998.
https://doi.org/10.1007/s10337-011-1994-6
Malenović A, Jančić-Stojanović B, Kostić N, Ivanović D, Medenica M. Optimization of Artificial Neural Networks for Modeling of Atorvastatin and Its Impurities Retention in Micellar Liquid Chromatography. in Chromatographia. 2011;73(9-10):993-998.
doi:10.1007/s10337-011-1994-6 .
Malenović, Anđelija, Jančić-Stojanović, Biljana, Kostić, Nada, Ivanović, Darko, Medenica, Mirjana, "Optimization of Artificial Neural Networks for Modeling of Atorvastatin and Its Impurities Retention in Micellar Liquid Chromatography" in Chromatographia, 73, no. 9-10 (2011):993-998,
https://doi.org/10.1007/s10337-011-1994-6 . .

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