{"title":"Image-Based Machine Learning Using Inkjet-Printed Chemicals: Mixing Ratio Prediction and Metal Ion Detection.","authors":"Taichi Sano,Yuki Terauchi,Yuki Ide,Ichigaku Takigawa,Tsuyoshi Minami,Yasuhide Inokuma","doi":"10.1021/acs.orglett.5c02270","DOIUrl":null,"url":null,"abstract":"Inkjet printing of π-conjugated organic compounds enabled rapid, low-cost generation of training images for the image-based machine learning (ML) prediction of mixing ratios. ML models with mean absolute errors below 4% were achieved within hours, even for dyes with subtle color differences. Changing the printing surface from filter paper to a polypropylene film extended the method to colorless compounds, including isomeric and macrocyclic systems. This approach also enabled spatial mapping of sub-microgram levels of Zn2+ ions using a weakly responsive colorimetric sensor, without the need for a spectrometer. This work demonstrates a simple, versatile strategy for integrating π-conjugated materials with ML in colorimetric sensing and mixture analysis.","PeriodicalId":54,"journal":{"name":"Organic Letters","volume":"19 1","pages":""},"PeriodicalIF":4.9000,"publicationDate":"2025-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Organic Letters","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1021/acs.orglett.5c02270","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, ORGANIC","Score":null,"Total":0}
引用次数: 0
Abstract
Inkjet printing of π-conjugated organic compounds enabled rapid, low-cost generation of training images for the image-based machine learning (ML) prediction of mixing ratios. ML models with mean absolute errors below 4% were achieved within hours, even for dyes with subtle color differences. Changing the printing surface from filter paper to a polypropylene film extended the method to colorless compounds, including isomeric and macrocyclic systems. This approach also enabled spatial mapping of sub-microgram levels of Zn2+ ions using a weakly responsive colorimetric sensor, without the need for a spectrometer. This work demonstrates a simple, versatile strategy for integrating π-conjugated materials with ML in colorimetric sensing and mixture analysis.
期刊介绍:
Organic Letters invites original reports of fundamental research in all branches of the theory and practice of organic, physical organic, organometallic,medicinal, and bioorganic chemistry. Organic Letters provides rapid disclosure of the key elements of significant studies that are of interest to a large portion of the organic community. In selecting manuscripts for publication, the Editors place emphasis on the originality, quality and wide interest of the work. Authors should provide enough background information to place the new disclosure in context and to justify the rapid publication format. Back-to-back Letters will be considered. Full details should be reserved for an Article, which should appear in due course.