Prediction of Dispersive Liquid–Liquid Microextraction Enrichment Effect of Aromatic Organics by [OMIM] [PF6] Ionic Liquid Based on Atom-Type Electrotopological State Indices
Sign Up to like & getrecommendations! Published in 2018 at "Chromatographia"
DOI: 10.1007/s10337-018-3492-6
Abstract: In this work, a quantitative structure–property relationship (QSPR) model based on atom-type electrotopological state (E-state) indices has been developed for predicting the dispersive liquid–liquid microextraction (DLLME) enrichment effect for aromatic organics by using 1-octyl-3-methylimidazolium hexafluorophosphate… read more here.
Keywords: state; state indices; liquid; atom type ... See more keywords
Atom-Type-Based AI Topological Indices for Artificial Neural Network Modeling of Retention Indices of Monomethylalkanes.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of chromatographic science"
DOI: 10.1093/chromsci/bmy081
Abstract: In this work, a combination of Xu and atom-type-based AI topological indices (TIs) were employed for quantitative structure-retention relationship (QSRR) study of monomethylalkanes (MMAs). A total of 196 temperature-programmed gas chromatographic retention indices corresponding to… read more here.
Keywords: topological indices; based topological; type based; atom type ... See more keywords