Raman Spectra Classification of Pharmaceutical Compounds: A Benchmark of Machine Learning Models with SHAP-Based Explainability
Raman spectroscopy has become an indispensable analytical technique in pharmaceutical research, offering non-invasive, rapid, and chemically specific insights into pharmaceutical compounds. In this study, we present a comprehensive benchmark of machine learning models for classifying 32 pharmaceutic...
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| Main Authors: | Dimitris Kalatzis, Alkmini Nega, Yiannis Kiouvrekis |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2025-07-01
|
| Series: | Eng |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2673-4117/6/7/145 |
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