Supplementary data for the article: “Quantitative structure-retention relationships for pyridinium-based ionic liquids used as gas chromatographic stationary phases: convenient software and assessment of reliability of the results”

Supplementary data for the article: “Quantitative structure-retention relationships for pyridinium-based ionic liquids used as gas chromatographic stationary phases: convenient software and assessment of reliability of the results”.

This repository contains a data set of the gas chromatographic retention data (n-alkane retention indices and retention times) for various oxygen-containing organic compounds and three ionic liquid-based stationary phases. The repository contains the following files: the data.xls file contains the data set, and the info.pdf file contains further information about data set acquisition.
Columns in the data.xls file:
SMILES – string representation of the molecule structure (SMILES)
RI – n-alkane-based retention index
RT – retention time in minutes

Name – name of the molecule
Three pages in the data.xls file correspond to three ionic liquid-based stationary phases.