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利用机器学习和代谢组学诊断甲状腺癌

Diagnostics of Thyroid Cancer Using Machine Learning and Metabolomics.

作者信息

Kuang Alyssa, Kouznetsova Valentina L, Kesari Santosh, Tsigelny Igor F

机构信息

Haas Business School, University of California at Berkeley, Berkeley, CA 94720, USA.

San Diego Supercomputer Center, University of California at San Diego, La Jolla, CA 92093, USA.

出版信息

Metabolites. 2023 Dec 22;14(1):11. doi: 10.3390/metabo14010011.

Abstract

The objective of this research is, with the analysis of existing data of thyroid cancer (TC) metabolites, to develop a machine-learning model that can diagnose TC using metabolite biomarkers. Through data mining, pathway analysis, and machine learning (ML), the model was developed. We identified seven metabolic pathways related to TC: Pyrimidine metabolism, Tyrosine metabolism, Glycine, serine, and threonine metabolism, Pantothenate and CoA biosynthesis, Arginine biosynthesis, Phenylalanine metabolism, and Phenylalanine, tyrosine, and tryptophan biosynthesis. The ML classifications' accuracies were confirmed through 10-fold cross validation, and the most accurate classification was 87.30%. The metabolic pathways identified in relation to TC and the changes within such pathways can contribute to more pattern recognition for diagnostics of TC patients and assistance with TC screening. With independent testing, the model's accuracy for other unique TC metabolites was 92.31%. The results also point to a possibility for the development of using ML methods for TC diagnostics and further applications of ML in general cancer-related metabolite analysis.

摘要

本研究的目的是通过分析甲状腺癌(TC)代谢物的现有数据,开发一种能够使用代谢物生物标志物诊断TC的机器学习模型。通过数据挖掘、通路分析和机器学习(ML),开发了该模型。我们确定了与TC相关的七条代谢途径:嘧啶代谢、酪氨酸代谢、甘氨酸、丝氨酸和苏氨酸代谢、泛酸和辅酶A生物合成、精氨酸生物合成、苯丙氨酸代谢以及苯丙氨酸、酪氨酸和色氨酸生物合成。通过10倍交叉验证确认了ML分类的准确性,最准确的分类为87.30%。与TC相关的代谢途径以及这些途径内的变化有助于对TC患者进行更多的模式识别,并辅助TC筛查。通过独立测试,该模型对其他独特TC代谢物的准确率为92.31%。结果还表明,有可能开发使用ML方法进行TC诊断,并将ML进一步应用于一般癌症相关代谢物分析。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f000/10818630/931b701d8d7c/metabolites-14-00011-g001.jpg

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