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Robustness of FTIR-Based Ultrarapid COVID-19 Diagnosis Using PLS-DA
Sreejith Remanan Pushpa1,2, Rajeev Kumar Sukumaran3,2, Sivaraman Savithri1,2
1Material Science and Technology Division, CSIR-National Institute for Interdisciplinary Science and Technology, Industrial Estate P.O., Thiruvananthapuram695019, Kerala, India.
ACS Omega
|December 26, 2022
Summary
This study validates chemometric models for rapid COVID-19 diagnosis. Models trained on larger datasets demonstrated high accuracy and robustness, crucial for managing new variants like Omicron.
Area of Science:
- Virology
- Medical Diagnostics
- Data Science
Background:
- The Omicron variant of SARS-CoV-2, responsible for COVID-19, presents challenges due to high transmissibility despite vaccination efforts.
- Current diagnostic methods for COVID-19 face limitations during widespread outbreaks.
- Chemometric approaches offer potential for rapid, cost-efficient, and non-destructive disease diagnosis.
Purpose of the Study:
- To systematically evaluate the robustness of chemometric diagnosis models for COVID-19.
- To compare the performance of models trained on smaller versus larger datasets, including augmented data.
- To establish reliable diagnostic tools for emerging SARS-CoV-2 variants.
Main Methods:
- Utilized chemometrics for developing diagnostic models based on spectral data.
- Employed Monte Carlo cross-validation and permutation tests to assess model robustness.
- Trained and validated models using both smaller (real and augmented) and larger (augmented) datasets.
Main Results:
- Diagnosis models trained on larger datasets showed superior accuracy and statistical significance.
- Achieved excellent performance metrics: Q2 > 99% and AUROC = 100% for models using larger datasets.
- Demonstrated the robustness and reliability of chemometric diagnosis for COVID-19.
Conclusions:
- Larger datasets significantly enhance the accuracy and robustness of chemometric COVID-19 diagnosis models.
- Chemometric methods provide a promising avenue for rapid and reliable detection of SARS-CoV-2 infections.
- The validated models are crucial for effective patient isolation and management during the evolving pandemic.

