Accurate prediction of isothermal gas chromatographic Kováts retention indices.

Anjum, Afia; Liigand, Jaanus; Milford, Ralph; Gautam, Vasuk; Wishart, David S

Anjum, Afia; Liigand, Jaanus; Milford, Ralph; Gautam, Vasuk; Wishart, David S.

Affiliation

Anjum A; Department of Computing Science, University of Alberta, Edmonton, AB T6G 2E9, Canada.
Liigand J; Department of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E8, Canada.
Milford R; Department of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E8, Canada.
Gautam V; Department of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E8, Canada.
Wishart DS; Department of Computing Science, University of Alberta, Edmonton, AB T6G 2E9, Canada; Department of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E8, Canada; Department of Laboratory Medicine and Pathology, University of Alberta, Edmonton, AB T6G 2B7, Canada; Faculty of Pharmacy and

J Chromatogr A ; 1705: 464176, 2023 Aug 30.

Article de En | MEDLINE | ID: mdl-37413909

Sujet(s)
Mots clés

Derivatization; Gas chromatography mass spectrometry; Graph neural network; Kováts retention index

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Texte intégral: 1 Collection: 01-internacional Base de données: MEDLINE Sujet principal: 29935 / Métabolome Type d'étude: Prognostic_studies / Risk_factors_studies Limites: Humans Langue: En Journal: J Chromatogr A Année: 2023 Type de document: Article Pays d'affiliation: Canada Pays de publication: Pays-Bas

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