Quantitative Structure–Retention Relationship Analysis of Polycyclic Aromatic Compounds in Ultra-High Performance Chromatography

Quantitative Structure–Retention Relationship Analysis of Polycyclic Aromatic Compounds in Ultra-High Performance Chromatography

A comparative quantitative structure–retention relationship (QSRR) study was carried out to predict the retention time of polycyclic aromatic hydrocarbons (PAHs) using molecular descriptors. The molecular descriptors were generated by the software Dragon and employed to build QSRR models. The effect...

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Bibliographic Details
Main Authors: Fabrizio Ruggieri, Alessandra Biancolillo, Angelo Antonio D’Archivio, Francesca Di Donato, Martina Foschi, Maria Anna Maggi, Claudia Quattrociocchi
Format: Article
Language:English
Published: MDPI AG 2023-04-01
Series:Molecules
Subjects:
polycyclic aromatic hydrocarbons
quantitative structure–retention relationship
artificial neural network
Partial Least Squares Regression
ultra-high performance liquid chromatography
Online Access:https://www.mdpi.com/1420-3049/28/7/3218

Internet

https://www.mdpi.com/1420-3049/28/7/3218

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