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Adaptive wavenumber selection framework for medicine authenticity assessment.

Fábio do Prado Puglia¹, Michel J Anzanello², Marco Flôres Ferrão³

¹Federal University of Rio Grande do Sul - Department of Industrial Engineering, Av. Osvaldo Aranha, 99 - 5° andar, Porto Alegre, RS, Brazil.

Journal of Pharmaceutical and Biomedical Analysis

|September 26, 2025

Summary

A new two-step adaptive method efficiently selects key spectral data (wavenumbers) to accurately identify counterfeit medicines using ATR-FTIR spectroscopy, improving global health security.

Keywords:

ATR-FTIR Spectroscopy Classification Falsified medicines Relevance-redundancy Wavenumber selection

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Area of Science:

Analytical Chemistry
Spectroscopy
Chemometrics

Background:

Counterfeit medicines pose a significant global health risk.
Attenuated Total Reflectance Fourier-Transform Infrared (ATR-FTIR) spectroscopy is a powerful tool for analyzing pharmaceutical products.
High-dimensional spectral data necessitates efficient feature selection for accurate classification.

Purpose of the Study:

To develop and validate a novel two-step adaptive wavenumber selection framework.
To enhance the classification accuracy of authentic versus falsified medicines.
To reduce the number of selected wavenumbers while maintaining high performance.

Main Methods:

A two-step adaptive framework for wavenumber selection was introduced.
The method partitions spectral data into intervals based on class distance.
An iterative ranking process integrates wavenumber relevance and redundancy, penalizing correlated features.

Main Results:

Near-perfect accuracy (99.97%) was achieved on the Cialis dataset with only 2.9 wavenumbers.
High accuracy (98.73%) was achieved on the Viagra dataset using 12.4 wavenumbers.
The proposed method outperformed relevance-only approaches by retaining fewer wavenumbers with comparable or superior performance.

Conclusions:

The novel two-step adaptive wavenumber selection framework is highly effective for classifying counterfeit medicines.
This approach offers a significant improvement in efficiency and accuracy for pharmaceutical analysis.
The method provides a robust solution for combating the proliferation of falsified medicines.