Rapid diagnosis of COVID-19 using FT-IR ATR spectroscopy and machine learning

使用 FT-IR ATR 光谱和机器学习快速诊断 COVID-19

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作者:Marcelo Saito Nogueira, Leonardo Barbosa Leal, Wena Dantas Marcarini, Raquel Lemos Pimentel, Matheus Muller, Paula Frizera Vassallo, Luciene Cristina Gastalho Campos, Leonardo Dos Santos, Wilson Barros Luiz, José Geraldo Mill, Valerio Garrone Barauna, Luis Felipe das Chagas E Silva de Carvalho

Abstract

Early diagnosis of COVID-19 in suspected patients is essential for contagion control and damage reduction strategies. We investigated the applicability of attenuated total reflection (ATR) Fourier transform infrared (FTIR) spectroscopy associated with machine learning in oropharyngeal swab suspension fluid to predict COVID-19 positive samples. The study included samples of 243 patients from two Brazilian States. Samples were transported by using different viral transport mediums (liquid 1 or 2). Clinical COVID-19 diagnosis was performed by the RT-PCR. We built a classification model based on partial least squares (PLS) associated with cosine k-nearest neighbours (KNN). Our analysis led to 84% and 87% sensitivity, 66% and 64% specificity, and 76.9% and 78.4% accuracy for samples of liquids 1 and 2, respectively. Based on this proof-of-concept study, we believe this method could offer a simple, label-free, cost-effective solution for high-throughput screening of suspect patients for COVID-19 in health care centres and emergency departments.

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