Fábio do Prado Puglia , Michel J. Anzanello , Marco Flôres Ferrão , Rafael Scorsatto Ortiz , Kristiane Mariotti , Ânderson Ramos Carvalho
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Adaptive wavenumber selection framework for medicine authenticity assessment
The proliferation of counterfeit medicines presents a critical challenge to global health. ATR-FTIR spectroscopy offers a rapid and efficient means of analyzing these products, but the high dimensionality of spectral data requires effective wavenumber selection. This paper introduces a novel two-step adaptive wavenumber selection framework for classifying authentic and falsified medicines. The method initially partitions spectral data into intervals based on class distance, followed by an iterative ranking process that integrates both wavenumber relevance and redundancy. By penalizing correlated features, our approach avoids redundant information and identifies optimal wavenumber combinations. When applied to the Cialis dataset, the proposed approach achieved near-perfect accuracy (99.97 %), retaining only 2.9 wavenumbers; as for the Viagra dataset, the method achieved 98.73 % accuracy while retaining a subset of 12.4 wavenumbers. Compared to the relevance-only alternative approach, our method retained significantly fewer wavenumbers across all classifiers while consistently achieving comparable or even higher classification performance.
期刊介绍:
This journal is an international medium directed towards the needs of academic, clinical, government and industrial analysis by publishing original research reports and critical reviews on pharmaceutical and biomedical analysis. It covers the interdisciplinary aspects of analysis in the pharmaceutical, biomedical and clinical sciences, including developments in analytical methodology, instrumentation, computation and interpretation. Submissions on novel applications focusing on drug purity and stability studies, pharmacokinetics, therapeutic monitoring, metabolic profiling; drug-related aspects of analytical biochemistry and forensic toxicology; quality assurance in the pharmaceutical industry are also welcome.
Studies from areas of well established and poorly selective methods, such as UV-VIS spectrophotometry (including derivative and multi-wavelength measurements), basic electroanalytical (potentiometric, polarographic and voltammetric) methods, fluorimetry, flow-injection analysis, etc. are accepted for publication in exceptional cases only, if a unique and substantial advantage over presently known systems is demonstrated. The same applies to the assay of simple drug formulations by any kind of methods and the determination of drugs in biological samples based merely on spiked samples. Drug purity/stability studies should contain information on the structure elucidation of the impurities/degradants.