[Elsevier] A comparative study of the predictive performance of different descriptor calculation tools: Molecular-based elution order modeling and interpretation of retention mechanism for isomeric compounds from METLIN database

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journalㄩJournal of Chromatography A

AuthorsㄩDarija Obradovi; Andrey Stavrianidi; Elizaveta Fedorova; Aleksandar Bogojevi; Oleg Shpigun; Aleksey Buryak; Saa Lazovi

Published dateㄩ2024-3-

DOIㄩ10.1016/j.chroma.2024.464731

PDF linkㄩhttps://www.sciencedirect.com/sc ... 021967324001043/pdf

Article linkㄩhttps://doi.org/10.1016/j.chroma.2024.464731

Article SourceㄩElsevier BV


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