化学计量学
偏最小二乘回归
线性判别分析
模式识别(心理学)
灵敏度(控制系统)
人工智能
选择(遗传算法)
近红外光谱
判别式
特征选择
训练集
色谱法
试验装置
分析化学(期刊)
计算机科学
集合(抽象数据类型)
数学
机器学习
化学
最小二乘函数近似
数据集
诊断试验
2019年冠状病毒病(COVID-19)
选型
统计
生物系统
材料科学
作者
Fernanda F. S. Oliveira,Wilson Junior Cardoso,Luiz F. P. Ramos,Túlio Resende Freitas,Priscilla Soares Filgueiras,Rafaella Fortini Queiroz Grenfell,Reinaldo Francisco Teofilo,Adriano de Paula Sabino
摘要
ABSTRACT The COVID‐19 pandemic has highlighted the urgent need for rapid, accurate, and cost‐effective diagnostic alternatives to conventional methods such as RT‐qPCR and immunoassays. In this study, we explored the potential of vibrational spectroscopy, specifically near‐infrared (NIR) and mid‐infrared (MID) spectroscopy, for detecting SARS‐CoV‐2 infection in dried plasma samples. Spectral data were obtained from 83 patients (45 COVID‐19 positive and 38 negative) and analyzed using partial least squares discriminant analysis (PLS‐DA), with and without variable selection by the ordered predictors selection for discriminant analysis (OPSDA) method. While initial models using full spectra showed moderate classification accuracy, the application of OPSDA significantly enhanced model performance. For the NIR dataset, OPSDA‐based models achieved 100% sensitivity and specificity in both training and test sets ( n = 25). For the MID dataset, the test set ( n = 25) sensitivity reached 86%, with 100% specificity. These results demonstrate that NIR and MID spectroscopy, when combined with advanced chemometric approaches, can provide reliable, rapid, and low‐cost screening for COVID‐19. This platform holds promise for broader applications in clinical diagnostics beyond the current pandemic.
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