Efficient and Accurate pH Determination with pH Test Strips Based on Machine Learning

IF 6.7 1区 化学 Q1 CHEMISTRY, ANALYTICAL Analytical Chemistry Pub Date : 2024-07-01 DOI:10.1021/acs.analchem.4c02153
Xiao Long Xiong, Yun Peng Ma, Hui Liu*, Cheng Zhi Huang* and Jun Zhou*, 
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Abstract

The determination of pH values is crucial in various fields, such as analytical chemistry, medical diagnostics, and biochemical research. pH test strips, renowned for their convenience and cost-effectiveness, are commonly utilized for pH qualitative estimation. Recently, quantitative methods for determining pH values using pH test strips have been developed. However, these methods can be prone to errors due to environmental factors, such as lighting conditions, which affect the imaging quality of the pH test strips. To address these challenges, we developed an innovative approach that combines machine learning techniques with pH test strips for the quantitative determination of pH values. Our method involves extracting artificial features from the pH test strip images and combining them across multiple dimensions for comprehensive analysis. To ensure optimal feature selection, we developed a feature selection strategy based on SHAP importance. This strategy helps in identifying the most relevant features that contribute to accurate pH prediction. Furthermore, we integrated multiple machine learning algorithms, employing a robust stacking fusion strategy to establish a highly reliable pH value prediction model. Our proposed method automates the determination of pH values through pH test strips, effectively overcoming the limitations associated with environmental lighting interference. Experimental results demonstrate that this method is convenient, effective, and highly reliable for the determination of pH values.

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基于机器学习的 pH 试纸可高效、准确地测定 pH 值。
pH 值的测定在分析化学、医疗诊断和生化研究等多个领域都至关重要。pH 试纸以其方便性和成本效益著称,通常用于 pH 值的定性估算。最近,人们开发出了使用 pH 试纸测定 pH 值的定量方法。然而,由于环境因素(如光照条件)会影响 pH 试纸的成像质量,这些方法很容易出现误差。为了应对这些挑战,我们开发了一种创新方法,将机器学习技术与 pH 试纸相结合,用于 pH 值的定量测定。我们的方法包括从 pH 试纸图像中提取人工特征,并将它们从多个维度结合起来进行综合分析。为确保最佳特征选择,我们开发了基于 SHAP 重要性的特征选择策略。该策略有助于识别有助于准确预测 pH 值的最相关特征。此外,我们还整合了多种机器学习算法,采用稳健的堆叠融合策略,建立了高度可靠的 pH 值预测模型。我们提出的方法通过 pH 试纸自动测定 pH 值,有效克服了环境光线干扰带来的限制。实验结果表明,这种方法在测定 pH 值方面方便、有效且高度可靠。
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来源期刊
Analytical Chemistry
Analytical Chemistry 化学-分析化学
CiteScore
12.10
自引率
12.20%
发文量
1949
审稿时长
1.4 months
期刊介绍: Analytical Chemistry, a peer-reviewed research journal, focuses on disseminating new and original knowledge across all branches of analytical chemistry. Fundamental articles may explore general principles of chemical measurement science and need not directly address existing or potential analytical methodology. They can be entirely theoretical or report experimental results. Contributions may cover various phases of analytical operations, including sampling, bioanalysis, electrochemistry, mass spectrometry, microscale and nanoscale systems, environmental analysis, separations, spectroscopy, chemical reactions and selectivity, instrumentation, imaging, surface analysis, and data processing. Papers discussing known analytical methods should present a significant, original application of the method, a notable improvement, or results on an important analyte.
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