Robert. J. Tomsich Pathology and Laboratory Medicine Institute, Cleveland Clinic, Cleveland, Ohio, United States of America.
Spectra Pass LLC & Allegiant Airlines, Las Vegas, Nevada, United States of America.
PLoS One. 2022 Jul 29;17(7):e0263954. doi: 10.1371/journal.pone.0263954. eCollection 2022.
The 2019 novel coronavirus infectious disease (COVID-19) pandemic has resulted in an unsustainable need for diagnostic tests. Currently, molecular tests are the accepted standard for the detection of SARS-CoV-2. Mass spectrometry (MS) enhanced by machine learning (ML) has recently been postulated to serve as a rapid, high-throughput, and low-cost alternative to molecular methods. Automated ML is a novel approach that could move mass spectrometry techniques beyond the confines of traditional laboratory settings. However, it remains unknown how different automated ML platforms perform for COVID-19 MS analysis. To this end, the goal of our study is to compare algorithms produced by two commercial automated ML platforms (Platforms A and B). Our study consisted of MS data derived from 361 subjects with molecular confirmation of COVID-19 status including SARS-CoV-2 variants. The top optimized ML model with respect to positive percent agreement (PPA) within Platforms A and B exhibited an accuracy of 94.9%, PPA of 100%, negative percent agreement (NPA) of 93%, and an accuracy of 91.8%, PPA of 100%, and NPA of 89%, respectively. These results illustrate the MS method's robustness against SARS-CoV-2 variants and highlight similarities and differences in automated ML platforms in producing optimal predictive algorithms for a given dataset.
2019 年新型冠状病毒传染病(COVID-19)大流行导致诊断检测的需求呈不可持续增长。目前,分子检测是检测 SARS-CoV-2 的公认标准。机器学习(ML)增强的质谱(MS)最近被认为是一种快速、高通量、低成本的分子方法替代方法。自动化 ML 是一种新颖的方法,可以将质谱技术从传统实验室环境的限制中解放出来。然而,不同的自动化 ML 平台在 COVID-19 MS 分析中的性能如何仍不得而知。为此,我们的研究旨在比较两种商业自动化 ML 平台(平台 A 和 B)生成的算法。我们的研究包括 361 名分子确诊 COVID-19 状态的患者的 MS 数据,包括 SARS-CoV-2 变体。在平台 A 和 B 中,针对阳性百分比一致性(PPA)进行优化的最佳 ML 模型的准确率为 94.9%,PPA 为 100%,阴性百分比一致性(NPA)为 93%,准确率为 91.8%,PPA 为 100%,NPA 为 89%。这些结果说明了 MS 方法对 SARS-CoV-2 变体的稳健性,并突出了自动化 ML 平台在为给定数据集生成最佳预测算法方面的相似性和差异性。