Preprocessing of HPLC trace impurity patterns by wavelet packets for pharmaceutical fingerprinting using artificial neural networks

Analytical Chemistry
E R CollantesJ Brower

Abstract

The immediate objective of this research program is to evaluate several computer-based classifiers as potential tools for pharmaceutical fingerprinting based on analysis of HPLC trace organic impurity patterns. In the present study, wavelet packets (WPs) are investigated for use as a preprocessor of the chromatographic data taken from commercial samples of L-tryptophan (LT) to extract input data appropriate for classifying the samples according to manufacturer using artificial neural networks (ANNs) and the standard classifiers KNN and SIMCA. Using the Haar function, WP decompositions for levels L = 0-10 were generated for the trace impurity patterns of 253 chromatograms corresponding to LT samples that had been produced by six commercial manufacturers. Input sets of N = 20, 30, 40, and 50 inputs were constructed, each one consisting of the first N/2 WP coefficents and corresponding positions from the overall best level (L = 2). The number of hidden nodes in the ANNs was also varied to optimize performance. Optimal ANN performance based on percent correct classifications of test set data was achieved by ANN-30-30-6 (97%) and ANN-20-10-6 (94%), where the integers refer to the numbers of input, hidden, and output nodes, respectiv...Continue Reading

Citations

Nov 24, 2004·Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences·Yi-Zeng LiangKelvin Chan
Oct 14, 2006·Journal of Computational Biology : a Journal of Computational Molecular Cell Biology·Adrian D HaimovichW J Welsh
Jul 6, 2010·Analytical Biochemistry·Ling Gao, Shouxin Ren
Jun 17, 2006·Biomedical Chromatography : BMC·Famei LiZhigang Liu
Dec 20, 2005·Journal of Chromatography. a·Feng Gan, Runyi Ye
Feb 25, 2006·Scandinavian Journal of Gastroenterology·Robespierre SantosJohn E Kellow

Related Concepts

High Pressure Liquid Chromatography Procedure
Drug Impurity
Neural Network Simulation

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