应用八种机器学习算法建立不孕症和妊娠诊断模型:氨基酸和肉碱代谢综合分析》。

IF 3.4 3区 生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY Metabolites Pub Date : 2024-09-10 DOI:10.3390/metabo14090492
Rui Zhang, Lei Zhou, Xiaoyan Hao, Liu Yang, Li Ding, Ruiqing Xing, Juanjuan Hu, Fengjuan Wang, Xiaonan Zhai, Yuanbing Guo, Zheng Cai, Jiawei Gao, Jun Yang, Jiayun Liu
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引用次数: 0

摘要

为了探索与非怀孕妇女(NPW)相比,非怀孕不孕妇女(NPW)、未怀孕不孕妇女(PWI)和接受过不孕症治疗的怀孕妇女(ITPW)体内氨基酸(AAs)和肉毒碱代谢改变的影响,并建立更有效的不孕症和妊娠诊断模型、研究人员采用高效液相色谱-串联质谱法(HPLC-MS/MS)对 496 份样本中的 21 种 AA 和 55 种肉毒碱含量进行了评估。)使用三种方法筛选生物标志物进行建模,并使用八种算法建立和验证模型。不孕症诊断训练模型的ROC、灵敏度、特异性和准确性分别高于0.956%、82.89%、66.64%和82.57%,而验证模型的ROC、灵敏度、特异性和准确性分别高于0.896%、77.67%、69.72%和83.38%。妊娠诊断训练模型的 ROC、灵敏度、特异性和准确性分别大于 0.994、96.23、97.79 和 97.69%,而验证模型的 ROC、灵敏度、特异性和准确性分别大于 0.572、96.39、93.03 和 94.71%。我们的研究结果表明,妊娠可能会改变不孕症妇女体内的 AA 和肉碱代谢,从而与 PWI 的内部环境相匹配。所开发的模型性能良好,灵敏度高,有助于不孕症和妊娠诊断。
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Application of Eight Machine Learning Algorithms in the Establishment of Infertility and Pregnancy Diagnostic Models: A Comprehensive Analysis of Amino Acid and Carnitine Metabolism.

To explore the effects of altered amino acids (AAs) and the carnitine metabolism in non-pregnant women with infertility (NPWI), pregnant women without infertility (PWI) and infertility-treated pregnant women (ITPW) compared with non-pregnant women (NPW, control), and develop more efficient models for the diagnosis of infertility and pregnancy, 496 samples were evaluated for levels of 21 AAs and 55 carnitines using targeted high-performance liquid chromatography with tandem mass spectrometry (HPLC-MS/MS). Three methods were used to screen the biomarkers for modeling, with eight algorithms used to build and validate the model. The ROC, sensitivity, specificity, and accuracy of the infertility diagnosis training model were higher than 0.956, 82.89, 66.64, and 82.57%, respectively, whereas those of the validated model were higher than 0.896, 77.67, 69.72, and 83.38%, respectively. The ROC, sensitivity, specificity, and accuracy of the pregnancy diagnosis training model were >0.994, 96.23, 97.79, and 97.69%, respectively, whereas those of the validated model were >0.572, 96.39, 93.03, and 94.71%, respectively. Our findings indicate that pregnancy may alter the AA and carnitine metabolism in women with infertility to match the internal environment of PWI. The developed model demonstrated good performance and high sensitivity for facilitating infertility and pregnancy diagnosis.

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来源期刊
Metabolites
Metabolites Biochemistry, Genetics and Molecular Biology-Molecular Biology
CiteScore
5.70
自引率
7.30%
发文量
1070
审稿时长
17.17 days
期刊介绍: Metabolites (ISSN 2218-1989) is an international, peer-reviewed open access journal of metabolism and metabolomics. Metabolites publishes original research articles and review articles in all molecular aspects of metabolism relevant to the fields of metabolomics, metabolic biochemistry, computational and systems biology, biotechnology and medicine, with a particular focus on the biological roles of metabolites and small molecule biomarkers. Metabolites encourages scientists to publish their experimental and theoretical results in as much detail as possible. Therefore, there is no restriction on article length. Sufficient experimental details must be provided to enable the results to be accurately reproduced. Electronic material representing additional figures, materials and methods explanation, or supporting results and evidence can be submitted with the main manuscript as supplementary material.
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