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Chromatographic Retention Index Model to Assist with Structural Elucidation of Small Environmental Molecules in LC-HRMS
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Facilitating structural elucidation of small environmental solutes in RPLC-HRMS by retention index prediction
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- Journal Article
- A1
- open access
High-throughput and reliable assessments of the ionization constant of monoprotic organic acids through an arginine based mixed mode HPLC
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De novo structural elucidation principle via in silico chromatographic retention index prediction for micropollutants in wastewater
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Introduction, application, and extension of ChromaRIM : a liquid chromatography retention index model for enhancing structural identification of small CxHyOz molecules
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In silico chromatographic retention time prediction for enhanced identification of unknown micropollutants in wastewater
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Comprehensive two-dimensional liquid chromatography as a biomimetic screening platform for pharmacokinetic profiling of compound libraries in early drug development
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Into the first biomimetic sphingomyelin stationary phase : suitability in drugs' biopharmaceutic profiling and block relevance analysis of selectivity
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Entry of therapeutics into the brain : influence of exposed polarity calculated in silico and measured in vitro by supercritical fluid chromatography
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Screening therapeutics according to their uptake across the blood-brain barrier : a high throughput method based on immobilized artificial membrane liquid chromatography-diode-array-detection coupled to electrospray-time-of-flight mass spectrometry