[{"data":1,"prerenderedAt":-1},["ShallowReactive",2],{"doc-detail-118965-en":3,"doc-seo-118965-105":30,"detail-sidebar-cat-0-en-105":91},{"code":4,"msg":5,"data":6},0,"success",{"doc_id":7,"user_id":8,"nickname":9,"user_avatar":10,"doc_module":4,"category_id":11,"category_name":12,"doc_title":13,"doc_description":14,"doc_content":15,"file_id":16,"file_url":17,"file_type":18,"file_size":19,"view_count":4,"is_deleted":4,"is_public":20,"is_downloadable":20,"audit_status":20,"page_count":21,"language":22,"language_code":23,"site_id":24,"html_lang":23,"table_of_contents":25,"faqs":26,"seo_title":27,"seo_description":14,"update_tm":28,"read_time":29},118965,4810365810221,"Aurora","https://ap-avatar.wpscdn.com/davatar_155a257f0dc6eb9ab79c44ca47cae57d",7,"Healthcare","Diagnostics of Thyroid Cancer Using Machine Learning and Metabolomics - Abstract","Research develops a machine-learning diagnostic model for thyroid cancer (TC) based on metabolite biomarkers derived from existing TC metabolomics data. The workflow integrates data mining, pathway analysis, and ML to characterize TC-associated metabolic signatures and define seven related metabolic pathways: pyrimidine metabolism, tyrosine metabolism, glycine/serine/threonine metabolism, pantothenate and CoA biosynthesis, arginine biosynthesis, phenylalanine metabolism, and phenylalanine/tyrosine/tryptophan biosynthesis. Classification performance is validated with 10-fold cross validation (up to 87.30%) and independent testing (up to 92.31%). Results support ML-enabled TC screening and broader metabolite-based cancer analysis.","UC San Diego  \nUC San Diego Previously Published Works  \nTitle  \nDiagnostics of Thyroid Cancer Using Machine Learning and Metabolomics.  \nPermalink  \n[https://escholarship.org/uc/item/0467499h](https://escholarship.org/uc/item/0467499h)  \nJournal  \nMetabolites, 14(1)  \nISSN  \n2218-1989  \nAuthors  \nKuang, Alyssa Kouznetsova, Valentina Kesari, Santosh  \net al.  \nPublication Date  \n2023-12-22  \nDOI  \n10.3390/metabo14010011 Peer reviewed  \n[eScholarship.org](eScholarship.org) Powered by the California Digital Library  \nUniversity of California  \nArticle  \nDiagnostics of Thyroid Cancer Using Machine Learning and Metabolomics  \nAlyssa Kuang 1, Valentina L. Kouznetsova 2,3,4, Santosh Kesari 5 and Igor F. Tsigelny 2,3,4,6, *  \nCitation: Kuang, A.; Kouznetsova, V.L.; Kesari, S.; Tsigelny, I.F. Diagnostics of Thyroid Cancer Using Machine Learning and Metabolomics. Metabolites 2024, 14, 11. [https://](https://)[ ](https://)[doi.org/10.3390/metabo14010011](doi.org/10.3390/metabo14010011)  \nAcademic Editors: Leonardo Franco and Martin Grootveld  \nReceived: 27 October 2023  \nRevised: 14 December 2023  \nAccepted: 18 December 2023  \nPublished: 22 December 2023  \nCopyright: © 2023 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license ([https://](https://)[ ](https://)[creativecommons.org/licenses/by/](creativecommons.org/licenses/by/)[ ](creativecommons.org/licenses/by/)[4.0/](4.0/)) .  \n1 Haas Business School, University of California at Berkeley, Berkeley, CA 94720, USA; [alyssakuang@berkeley.edu](alyssakuang@berkeley.edu)  \n2 San Diego Supercomputer Center, University of California at San Diego, La Jolla, CA 92093, USA; [vkouznet@ucsd.edu](vkouznet@ucsd.edu)  \n3 BiAna, La Jolla, CA 92038, USA  \n4 CureScience Institute, San Diego, CA 92121, USA  \n5 Pacific Neuroscience Institute, Santa Monica, CA 90404, USA; santosh.kesari@providence.org  \n6 Department of Neurosciences, University of California at San Diego, La Jolla, CA 92093, USA  \n* Correspondence: [itsigeln@ucsd.edu](itsigeln@ucsd.edu)  \nAbstract: 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.  \nKeywords: thyroid cancer; machine learning; metabolomics; diagnostics  \n1. Introduction  \nThyroid cancer (TC) is the most common endocrine cancer. TC is deadly because of its quickness to spread to the other parts of the human body, such as the kidney, lungs, prostate, and the breasts. While TC is a common cancer, the symptoms typically do not show until the later stages. TC also can recur. Currently, doctors classify thyroid nodules with fine-needle aspiration biopsy (FNAB), a type of evaluation of palpable soft tissue lesions that are clinically suspected to be metastatic carcinomas, which uses an ultrasound (US) image [1] . FNAB is found to be inaccurate 20% of the ti","cbCaiavJX7XXe3rd","https://ap.wps.com/l/cbCaiavJX7XXe3rd","pdf",2155722,1,16,"English","en",105,"# Introduction\n## Artificial Intelligence, Computer-Aided Diagnostics, and Machine Learning in Cancer Therapy\n# Abstract","[{\"question\":\"What is the main goal of the research on thyroid cancer?\",\"answer\":\"To develop a machine-learning model that diagnoses thyroid cancer using metabolite biomarkers obtained from metabolomics data.\"},{\"question\":\"Which steps are used to build the machine-learning diagnostic model?\",\"answer\":\"The study uses data mining, pathway analysis, and machine learning to derive TC-related metabolic signatures and train the classification model.\"},{\"question\":\"How accurate is the model for thyroid cancer diagnosis?\",\"answer\":\"Accuracy is assessed using 10-fold cross validation (best reported 87.30%) and independent testing on other unique TC metabolites (up to 92.31%).\"}]","Diagnostics of Thyroid Cancer Using Machine Learning and Metabolomics - Abstract | PDF",1785721251,40,{"code":4,"msg":31,"data":32},"ok",{"site_id":24,"language":23,"slug":33,"title":13,"keywords":34,"description":14,"schema_data":35,"social_meta":86,"head_meta":88,"extra_data":90,"updated_unix":28},"diagnostics-of-thyroid-cancer-using-machine-learning-and-metabolomics-abstract","",{"@graph":36,"@context":85},[37,54,68],{"@type":38,"itemListElement":39},"BreadcrumbList",[40,44,48,51],{"item":41,"name":42,"@type":43,"position":20},"https://docshare.wps.com","Home","ListItem",{"item":45,"name":46,"@type":43,"position":47},"https://docshare.wps.com/document/","Document",2,{"item":49,"name":12,"@type":43,"position":50},"https://docshare.wps.com/document/healthcare/",3,{"item":52,"name":13,"@type":43,"position":53},"https://docshare.wps.com/document/diagnostics-of-thyroid-cancer-using-machine-learning-and-metabolomics-abstract/118965/",4,{"url":52,"name":13,"@type":55,"author":56,"headline":13,"publisher":58,"fileFormat":61,"inLanguage":23,"description":14,"dateModified":62,"datePublished":62,"encodingFormat":61,"isAccessibleForFree":63,"interactionStatistic":64},"DigitalDocument",{"name":9,"@type":57},"Person",{"url":41,"name":59,"@type":60},"DocShare","Organization","application/pdf","2026-08-03",true,{"@type":65,"interactionType":66,"userInteractionCount":4},"InteractionCounter",{"@type":67},"ViewAction",{"@type":69,"mainEntity":70},"FAQPage",[71,77,81],{"name":72,"@type":73,"acceptedAnswer":74},"What is the main goal of the research on thyroid cancer?","Question",{"text":75,"@type":76},"To develop a machine-learning model that diagnoses thyroid cancer using metabolite biomarkers obtained from metabolomics data.","Answer",{"name":78,"@type":73,"acceptedAnswer":79},"Which steps are used to build the machine-learning diagnostic model?",{"text":80,"@type":76},"The study uses data mining, pathway analysis, and machine learning to derive TC-related metabolic signatures and train the classification model.",{"name":82,"@type":73,"acceptedAnswer":83},"How accurate is the model for thyroid cancer diagnosis?",{"text":84,"@type":76},"Accuracy is assessed using 10-fold cross validation (best reported 87.30%) and independent testing on other unique TC metabolites (up to 92.31%).","https://schema.org",{"og:url":52,"og:type":87,"og:title":13,"og:site_name":59,"og:description":14},"article",{"robots":89,"canonical":52},"index,follow",{"doc_id":7,"site_id":24},{"code":4,"msg":5,"data":92},[93,97,101,105,110,115,117,122,127,130,134],{"id":20,"doc_module":4,"doc_module_name":46,"category_name":94,"show_sort_weight":95,"slug":96},"Story & Novel",90,"story-novel",{"id":47,"doc_module":4,"doc_module_name":46,"category_name":98,"show_sort_weight":99,"slug":100},"Literature",80,"literature",{"id":53,"doc_module":4,"doc_module_name":46,"category_name":102,"show_sort_weight":103,"slug":104},"Exam",70,"exam",{"id":106,"doc_module":4,"doc_module_name":46,"category_name":107,"show_sort_weight":108,"slug":109},5,"Comic",60,"comic",{"id":111,"doc_module":4,"doc_module_name":46,"category_name":112,"show_sort_weight":113,"slug":114},6,"Technology",50,"technology",{"id":11,"doc_module":4,"doc_module_name":46,"category_name":12,"show_sort_weight":29,"slug":116},"healthcare",{"id":118,"doc_module":4,"doc_module_name":46,"category_name":119,"show_sort_weight":120,"slug":121},8,"Research & Report",30,"research-report",{"id":123,"doc_module":4,"doc_module_name":46,"category_name":124,"show_sort_weight":125,"slug":126},9,"Religion & Spirituality",20,"religion-spirituality",{"id":125,"doc_module":4,"doc_module_name":46,"category_name":128,"show_sort_weight":125,"slug":129},"World Cup","world-cup",{"id":131,"doc_module":4,"doc_module_name":46,"category_name":132,"show_sort_weight":131,"slug":133},10,"Lifestyle","lifestyle",{"id":135,"doc_module":4,"doc_module_name":46,"category_name":136,"show_sort_weight":106,"slug":137},19,"General","general"]