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赛马反兴奋剂控制人工智能平台的分析数据审查

Analytical Data Review on an Artificial Intelligence Platform for Doping Control in Horse Racing.

作者信息

Lai Chun Sing, Wong April S Y, Wong Kin-Sing, Wan Terence S M, Ho Emmie N M

机构信息

Racing Laboratory, The Hong Kong Jockey Club, Shatin Racecourse, Shatin, N.T., Hong Kong 999077, China.

Racing Division, The Hong Kong Jockey Club, Shatin Racecourse, Shatin, N.T., Hong Kong 999077, China.

出版信息

Anal Chem. 2025 Jul 8;97(26):13817-13822. doi: 10.1021/acs.analchem.5c00510. Epub 2025 Jun 10.

Abstract

In the screening of prohibited substances (PS) in horse biological samples with gas chromatography/mass spectrometry (GC/MS) and liquid chromatography/mass spectrometry (LC/MS) for doping control, an enormous number of chromatograms are generated. Reviewing these chromatograms to identify suspicious findings requires an extensive manual effort. Recent advancements in Artificial Intelligence (AI) enable its use to classify images into different categories. This can potentially be utilized to perform first-line analysis of chromatograms, which are usually displayed as images, by classifying them into "positive" (POS) or "negative" (NEG) with respect to the presence of PS. This study explores the feasibility of using AI to perform initial chromatogram analysis, aiming to improve the efficiency and accuracy of data vetting. A predictive model was developed using the image recognition tool in "Alteryx Designer," a data analytic software, to analyze chromatograms generated from LC/MS analysis of horse urine. The model was developed by training with over 6000 chromatograms that had manually been classified as "POS" or "NEG." To evaluate the model's accuracy, around 700 manually classified chromatograms were analyzed by the model, and the prediction accuracy was over 90%. The model was applied to two of our in-house screening methods, each covering over 300 drug targets. It was shown that the model can identify "SUSPICIOUS" (SUS)/"POSITIVE" (POS) and "NEGATIVE" (NEG) chromatograms with high accuracy with no false negative classification. There are two major challenges in applying the developed model to perform first-line analysis in regular testing, with the first challenge being the analysis time. With the existing Alteryx workflow, analyzing one batch of samples from one of our in-house screening methods with a standard office PC requires 3-5 h. The second challenge is the inflexibility of the data extraction workflow. The workflow only works on analytical data generated from specific instruments and software, which poses challenges to its implementation in regular testing, which involves a large variety of instruments and processing software.

摘要

在使用气相色谱/质谱联用仪(GC/MS)和液相色谱/质谱联用仪(LC/MS)对马生物样本进行违禁物质(PS)筛查以进行兴奋剂检测时,会生成大量色谱图。审查这些色谱图以识别可疑结果需要大量的人工操作。人工智能(AI)的最新进展使其能够用于将图像分类为不同类别。这有可能被用于对通常以图像形式显示的色谱图进行一线分析,即将它们相对于PS的存在分类为“阳性”(POS)或“阴性”(NEG)。本研究探讨了使用AI进行初始色谱图分析的可行性,旨在提高数据审核的效率和准确性。使用数据分析软件“Alteryx Designer”中的图像识别工具开发了一个预测模型,以分析马尿LC/MS分析生成的色谱图。该模型是通过使用超过6000张已手动分类为“POS”或“NEG”的色谱图进行训练而开发的。为了评估模型的准确性,该模型分析了大约700张手动分类的色谱图,预测准确率超过90%。该模型被应用于我们的两种内部筛查方法,每种方法涵盖超过300种药物靶点。结果表明,该模型能够高精度地识别“可疑”(SUS)/“阳性”(POS)和“阴性”(NEG)色谱图,且无假阴性分类。将开发的模型应用于常规检测中的一线分析存在两个主要挑战,第一个挑战是分析时间。使用现有的Alteryx工作流程,使用标准办公电脑分析我们一种内部筛查方法的一批样本需要3至5小时。第二个挑战是数据提取工作流程缺乏灵活性。该工作流程仅适用于特定仪器和软件生成的分析数据,这给其在常规检测中的实施带来了挑战,因为常规检测涉及多种仪器和处理软件。

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