Literature DB >> 28251418

Comparison between Two Linear Supervised Learning Machines' Methods with Principle Component Based Methods for the Spectrofluorimetric Determination of Agomelatine and Its Degradants.

Mahmoud M Elkhoudary1,2, Ibrahim A Naguib3,4, Randa A Abdel Salam5, Ghada M Hadad5.   

Abstract

Four accurate, sensitive and reliable stability indicating chemometric methods were developed for the quantitative determination of Agomelatine (AGM) whether in pure form or in pharmaceutical formulations. Two supervised learning machines' methods; linear artificial neural networks (PC-linANN) preceded by principle component analysis and linear support vector regression (linSVR), were compared with two principle component based methods; principle component regression (PCR) as well as partial least squares (PLS) for the spectrofluorimetric determination of AGM and its degradants. The results showed the benefits behind using linear learning machines' methods and the inherent merits of their algorithms in handling overlapped noisy spectral data especially during the challenging determination of AGM alkaline and acidic degradants (DG1 and DG2). Relative mean squared error of prediction (RMSEP) for the proposed models in the determination of AGM were 1.68, 1.72, 0.68 and 0.22 for PCR, PLS, SVR and PC-linANN; respectively. The results showed the superiority of supervised learning machines' methods over principle component based methods. Besides, the results suggested that linANN is the method of choice for determination of components in low amounts with similar overlapped spectra and narrow linearity range. Comparison between the proposed chemometric models and a reported HPLC method revealed the comparable performance and quantification power of the proposed models.

Entities:  

Keywords:  Agomelatine; Linear ANN; Linear SVR; Machines learning; Principle component; Spectrofluorimetry; Stability

Year:  2017        PMID: 28251418     DOI: 10.1007/s10895-017-2050-1

Source DB:  PubMed          Journal:  J Fluoresc        ISSN: 1053-0509            Impact factor:   2.217


  25 in total

1.  Support vector machines for predictive modeling in heterogeneous catalysis: a comprehensive introduction and overfitting investigation based on two real applications.

Authors:  L A Baumes; J M Serra; P Serna; A Corma
Journal:  J Comb Chem       Date:  2006 Jul-Aug

2.  Green analytical determination of emerging pollutants in environmental waters using excitation-emission photoinduced fluorescence data and multivariate calibration.

Authors:  María Del Carmen Hurtado-Sánchez; Valeria A Lozano; María Isabel Rodríguez-Cáceres; Isabel Durán-Merás; Graciela M Escandar
Journal:  Talanta       Date:  2014-11-20       Impact factor: 6.057

3.  A comparative study between PCR and PLS in simultaneous spectrophotometric determination of diphenylamine, aniline, and phenol: Effect of wavelength selection.

Authors:  Bahram Hemmateenejad; Morteza Akhond; Fayezeh Samari
Journal:  Spectrochim Acta A Mol Biomol Spectrosc       Date:  2006-09-16       Impact factor: 4.098

4.  Comparative artificial neural network and partial least squares models for analysis of Metronidazole, Diloxanide, Spiramycin and Cliquinol in pharmaceutical preparations.

Authors:  Mahmoud M Elkhoudary; Randa A Abdel Salam; Ghada M Hadad
Journal:  Spectrochim Acta A Mol Biomol Spectrosc       Date:  2014-04-13       Impact factor: 4.098

5.  Improved partial least squares models for stability-indicating analysis of mebeverine and sulpiride mixtures in pharmaceutical preparation: a comparative study.

Authors:  Hany W Darwish; Ibrahim A Naguib
Journal:  Drug Test Anal       Date:  2011-09-06       Impact factor: 3.345

6.  Simultaneous determination of plant growth regulators in environmental samples using chemometrics-assisted excitation-emission matrix fluorescence: experimental study on the prediction quality of second-order calibration method.

Authors:  Xiang-Dong Qing; Hai-Long Wu; Chong-Chong Nie; Xiu-Fang Yan; Yuan-Na Li; Jian-Yao Wang; Ru-Qin Yu
Journal:  Talanta       Date:  2012-10-12       Impact factor: 6.057

Review 7.  Agomelatine, the first melatonergic antidepressant: discovery, characterization and development.

Authors:  Christian de Bodinat; Béatrice Guardiola-Lemaitre; Elisabeth Mocaër; Pierre Renard; Carmen Muñoz; Mark J Millan
Journal:  Nat Rev Drug Discov       Date:  2010-06-25       Impact factor: 84.694

8.  LC-MS/MS method for the determination of agomelatine in human plasma and its application to a pharmacokinetic study.

Authors:  Xiaolin Wang; Dan Zhang; Man Liu; Hongna Zhao; Aihua Du; Lingjie Meng; Huichen Liu
Journal:  Biomed Chromatogr       Date:  2013-08-05       Impact factor: 1.902

9.  Least-Squares Regression and Spectral Residual Augmented Classical Least-Squares Chemometric Models for Stability-Indicating Analysis of Agomelatine and Its Degradation Products: A Comparative Study.

Authors:  Ibrahim A Naguib; Maha M Abdelrahman; Mohamed R El Ghobashy; Nesma A Ali
Journal:  J AOAC Int       Date:  2016-03-17       Impact factor: 1.913

10.  Determination of Cefoperazone Sodium in Presence of Related Impurities by Linear Support Vector Regression and Partial Least Squares Chemometric Models.

Authors:  Ibrahim A Naguib; Eglal A Abdelaleem; Hala E Zaazaa; Essraa A Hussein
Journal:  J Anal Methods Chem       Date:  2015-11-19       Impact factor: 2.193

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