遇见数据集

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”

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Figshare2024-07-05 更新2026-04-08 收录
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<br>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”.<br>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 indexRT – retention time in minutes<br>Name – name of the moleculeThree pages in the data.xls file correspond to three ionic liquid-based stationary phases.

提供机构:
Matyushin, Dmitriy
创建时间:
2024-07-05
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