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Retention time prediction of emerging contaminants via transfer learning with graph neural networks.

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Title: Retention time prediction of emerging contaminants via transfer learning with graph neural networks.
Authors: Deng J; Environmental Research Institute/School of Environment, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety & MOE Key Laboratory of Theoretical Chemistry of Environment, South China Normal University, Guangzhou 510006, China., Chen J; Environmental Research Institute/School of Environment, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety & MOE Key Laboratory of Theoretical Chemistry of Environment, South China Normal University, Guangzhou 510006, China., Wang J; Environmental Research Institute/School of Environment, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety & MOE Key Laboratory of Theoretical Chemistry of Environment, South China Normal University, Guangzhou 510006, China., Li X; Environmental Research Institute/School of Environment, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety & MOE Key Laboratory of Theoretical Chemistry of Environment, South China Normal University, Guangzhou 510006, China., Liu S; Environmental Research Institute/School of Environment, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety & MOE Key Laboratory of Theoretical Chemistry of Environment, South China Normal University, Guangzhou 510006, China., Ge L; School of Environmental Science and Engineering, Shaanxi University of Science & Technology, Xi'an 710021, China., Ying GG; Environmental Research Institute/School of Environment, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety & MOE Key Laboratory of Theoretical Chemistry of Environment, South China Normal University, Guangzhou 510006, China., Chen CE; Environmental Research Institute/School of Environment, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety & MOE Key Laboratory of Theoretical Chemistry of Environment, South China Normal University, Guangzhou 510006, China. Electronic address: changer.chen@m.scnu.edu.cn.
Source: Journal of hazardous materials [J Hazard Mater] 2026 Feb 15; Vol. 504, pp. 141313. Date of Electronic Publication: 2026 Jan 31.
Publication Type: Journal Article
Journal Info: Publisher: Elsevier Country of Publication: Netherlands NLM ID: 9422688 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-3336 (Electronic) Linking ISSN: 03043894 NLM ISO Abbreviation: J Hazard Mater Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Deng+J%22">Deng J</searchLink>; Environmental Research Institute/School of Environment, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety & MOE Key Laboratory of Theoretical Chemistry of Environment, South China Normal University, Guangzhou 510006, China.<br /><searchLink fieldCode="AU" term="%22Chen+J%22">Chen J</searchLink>; Environmental Research Institute/School of Environment, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety & MOE Key Laboratory of Theoretical Chemistry of Environment, South China Normal University, Guangzhou 510006, China.<br /><searchLink fieldCode="AU" term="%22Wang+J%22">Wang J</searchLink>; Environmental Research Institute/School of Environment, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety & MOE Key Laboratory of Theoretical Chemistry of Environment, South China Normal University, Guangzhou 510006, China.<br /><searchLink fieldCode="AU" term="%22Li+X%22">Li X</searchLink>; Environmental Research Institute/School of Environment, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety & MOE Key Laboratory of Theoretical Chemistry of Environment, South China Normal University, Guangzhou 510006, China.<br /><searchLink fieldCode="AU" term="%22Liu+S%22">Liu S</searchLink>; Environmental Research Institute/School of Environment, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety & MOE Key Laboratory of Theoretical Chemistry of Environment, South China Normal University, Guangzhou 510006, China.<br /><searchLink fieldCode="AU" term="%22Ge+L%22">Ge L</searchLink>; School of Environmental Science and Engineering, Shaanxi University of Science & Technology, Xi'an 710021, China.<br /><searchLink fieldCode="AU" term="%22Ying+GG%22">Ying GG</searchLink>; Environmental Research Institute/School of Environment, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety & MOE Key Laboratory of Theoretical Chemistry of Environment, South China Normal University, Guangzhou 510006, China.<br /><searchLink fieldCode="AU" term="%22Chen+CE%22">Chen CE</searchLink>; Environmental Research Institute/School of Environment, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety & MOE Key Laboratory of Theoretical Chemistry of Environment, South China Normal University, Guangzhou 510006, China. Electronic address: changer.chen@m.scnu.edu.cn.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Elsevier%22">Elsevier </searchLink><i>Country of Publication: </i>Netherlands <i>NLM ID: </i>9422688 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1873-3336 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2203043894%22">03043894 </searchLink><i>NLM ISO Abbreviation: </i>J Hazard Mater <i>Subsets: </i>MEDLINE; PubMed not MEDLINE
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        Value: 10.1016/j.jhazmat.2026.141313
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              Text: 2026 Feb 15
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