A quantitative structure- property relationship of gas chromatographic/mass spectrometric retention data of 85 volatile organic compounds as air pollutant materials by multivariate methods
A quantitative structure-property relationship (QSPR) study is suggested for the prediction of retention times of volatile organic compounds. Various kinds of molecular descriptors were calculated to represent the molecular structure of compounds. Modeling of retention times of these compounds as a...
| Main Authors: | , , |
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| Format: | Online |
| Language: | English |
| Published: |
BioMed Central
2012
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3395126/ |