{"title":"Integrating non-target analysis and machine learning: a framework for contaminant source identification","authors":"Peng Liu, Ding Pan, Xin-Yi Jiao, Ji-Ning Liu, Peng-Hui Du, Peng-Cheng Li, Meng-Zhu Xue, Yan-Chao Jin, Cai-Shan Wang, Xue-Rong Wang, Ying-Zhi Ding, Guang-Ning Zhu, Jing-Hao Yang, Wen-Ze Wu, Lu-Feng Liang, Xin-Hui Liu, Li-Ping Li","doi":"10.1038/s41545-025-00504-z","DOIUrl":null,"url":null,"abstract":"<p>Machine learning-based non-target analysis (ML-based NTA) faces the critical challenge of linking complex chemical signals to contamination sources. This review proposes a systematic framework of ML-assisted NTA for contaminant source identification, emphasizing the strategies and considerations of key steps in data processing, pattern recognition, and model validation. The framework provides practical guidance for translating raw NTA data to actionable environmental insights that support informed decision-making.</p>","PeriodicalId":19375,"journal":{"name":"npj Clean Water","volume":"14 1","pages":""},"PeriodicalIF":11.4000,"publicationDate":"2025-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"npj Clean Water","FirstCategoryId":"5","ListUrlMain":"https://doi.org/10.1038/s41545-025-00504-z","RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Machine learning-based non-target analysis (ML-based NTA) faces the critical challenge of linking complex chemical signals to contamination sources. This review proposes a systematic framework of ML-assisted NTA for contaminant source identification, emphasizing the strategies and considerations of key steps in data processing, pattern recognition, and model validation. The framework provides practical guidance for translating raw NTA data to actionable environmental insights that support informed decision-making.
npj Clean WaterEnvironmental Science-Water Science and Technology
CiteScore
15.30
自引率
2.60%
发文量
61
审稿时长
5 weeks
期刊介绍:
npj Clean Water publishes high-quality papers that report cutting-edge science, technology, applications, policies, and societal issues contributing to a more sustainable supply of clean water. The journal's publications may also support and accelerate the achievement of Sustainable Development Goal 6, which focuses on clean water and sanitation.