Keywords: پیش بینی احتباس; Nucleic acids; Ion-pair reversed-phase liquid chromatography; Retention prediction; Chromatographic hydrophobic and electrostatic interaction index;
مقالات ISI پیش بینی احتباس (ترجمه نشده)
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Keywords: پیش بینی احتباس; QSRR; Geometry optimization; Descriptor generation; Chiral descriptors; Feature selection; Retention prediction; Similarity; Non-Targeted Analysis; Chromatography;
Keywords: پیش بینی احتباس; Quantitative structure-retention relationships; Hydrophobic subtraction model; Retention prediction;
Use of dual-filtering to create training sets leading to improved accuracy in quantitative structure-retention relationships modelling for hydrophilic interaction liquid chromatographic systems
Keywords: پیش بینی احتباس; QSRR; Prediction accuracy; Dual-filtering; Retention prediction; Similarity searching; HILIC mechanism;
Investigation of the effect of column temperature and back-pressure in achiral supercritical fluid chromatography within the context of drug impurity profiling
Keywords: پیش بینی احتباس; Dissimilar stationary phases; Response surface design; Retention prediction; Separation optimization; Chromatographic efficiency;
Prediction of retention in hydrophilic interaction liquid chromatography using solute molecular descriptors based on chemical structures
Keywords: پیش بینی احتباس; HILIC method development; Retention prediction; QSRR; Optimized GA-PLS; HILIC mechanism;
Keywords: پیش بینی احتباس; Quantitative structure retention relationship (QSRR); Two dimensional gas chromatography (GC × GC); Retention prediction; Variable selection; Sulfur standards; PASHs
Keywords: پیش بینی احتباس; Microfluidic; Chromatography; Gradient compression; Repetitive injection method; Linear solvation strength theory; Retention prediction
Keywords: پیش بینی احتباس; SFC; UHPSFC; Method development; Retention modeling; Retention prediction;
Keywords: پیش بینی احتباس; Retention projection; Retention prediction; Liquid chromatography-mass spectrometry; Retention database; Retention time tolerance window;
Keywords: پیش بینی احتباس; Retention projection; Retention prediction; Liquid chromatography-mass spectrometry; Retention library; Retention database; Multi-laboratory study;
Keywords: پیش بینی احتباس; Retention projection; Retention prediction; Gas chromatography–mass spectrometry; Retention library; Retention database.
Keywords: پیش بینی احتباس; Measure HPLC Gradient; Retention projection; Liquid chromatography–mass spectrometry; System suitability check; Retention time calculation; Retention prediction
Keywords: پیش بینی احتباس; Gas chromatography–mass spectrometry; Retention prediction; Retention projection; Compound identification; Instrument non-idealities; Programmed-temperature retention from isothermal retention
Keywords: پیش بینی احتباس; HILIC; Method development; Retention modeling; Predictive elution window shifting and stretching (PEWS2); Retention prediction;
MetExpert: An expert system to enhance gas chromatographyâmass spectrometry-based metabolite identifications
Keywords: پیش بینی احتباس; Gas chromatographyâMass spectrometry; Metabolite identification; Expert system; In silico derivatization; Retention prediction; Substructure prediction;
Combination of partial least squares regression and design of experiments to model the retention of pharmaceutical compounds in supercritical fluid chromatography
Keywords: پیش بینی احتباس; Supercritical Fluid Chromatography; Chemometric approach; Chromatographic behaviour; LSER descriptors; Retention prediction;
Program for the interpretive optimization of two-dimensional resolution
Keywords: پیش بینی احتباس; Pareto-optimality; interpretive optimization; LC × LC; method development; synthetic dyes; retention prediction
Retention prediction and separation optimization of ionizable analytes in reversed-phase liquid chromatography by organic modifier gradients in different eluent pHs
Keywords: پیش بینی احتباس; Reversed-phase liquid chromatography; Retention prediction; Organic modifier gradients in different eluent pHs; Amino acid derivatives separation optimization;
Ion-pair reversed-phase chromatography of short double-stranded deoxyribonucleic acid in silicon micro-pillar array columns: Retention model and applications
Keywords: پیش بینی احتباس; DNA chromatography; Ion-pair RP-HPLC; Retention prediction; Silicon micro-pillar array column; Lab on a chip
A simple approach for retention prediction in the pH-gradient reversed-phase liquid chromatography
Keywords: پیش بینی احتباس; pH-gradients; Retention prediction; Amino acid derivatives; Reversed-phase liquid chromatography;
Easy and accurate calculation of programmed temperature gas chromatographic retention times by back-calculation of temperature and hold-up time profiles
Keywords: پیش بینی احتباس; Gas chromatography–mass spectrometry; Retention prediction; Chemical identification; Instrument non-idealities; Retention projection; Calculation of programmed-temperature retention from isothermal retention
Retention behavior of peptides in hydrophilic-interaction chromatography
Keywords: پیش بینی احتباس; Hydrophilic interaction chromatography; Peptides; Retention prediction; Silanol interaction
Simple models for the effect of aliphatic alcohol additives on the retention in reversed-phase liquid chromatography
Keywords: پیش بینی احتباس; Reversed-phase liquid chromatography; Methanol-water mobile phases; Alkanol additive; Modeling; Retention prediction;
Easy and accurate high-performance liquid chromatography retention prediction with different gradients, flow rates, and instruments by back-calculation of gradient and flow rate profiles
Keywords: پیش بینی احتباس; Retention prediction; Chemical identification; Gradient profile; Retention projection; Cross-instrument
A study on retention “projection” as a supplementary means for compound identification by liquid chromatography–mass spectrometry capable of predicting retention with different gradients, flow rates, and instruments
Keywords: پیش بینی احتباس; Retention prediction; Chemical identification; Isocratic to gradient conversion; Retention projection; Gradient profile; Cross-instrument
Novel approaches for retention time prediction of oligonucleotides in ion-pair reversed-phase high-performance liquid chromatography
Keywords: پیش بینی احتباس; Retention prediction; Oligonucleotides; Genetic algorithm; Ion-pair reversed-phase high-performance liquid chromatography
Possibility of predicting separations in supercritical fluid chromatography with the solvation parameter model
Keywords: پیش بینی احتباس; Supercritical fluid chromatography; Retention prediction; Solvation parameter model; QSRRs; Derringer desirability function
Strategy for reduced calibration sets to develop quantitative structure–retention relationships in high-performance liquid chromatography
Keywords: پیش بینی احتباس; Liquid chromatography; Quantitative structure–retention relationships; Samples selection; Reduced calibration sets; Retention modelling; Retention prediction
Review on modelling aspects in reversed-phase liquid chromatographic quantitative structure–retention relationships
Keywords: پیش بینی احتباس; Quantitative structure–retention relationships; Molecular descriptors; Retention prediction; Reversed-phase chromatography
Polarity parameters of the Symmetry C18 and Chromolith Performance RP-18 monolithic chromatographic columns
Keywords: پیش بینی احتباس; Column polarity; Retention prediction; Polarity model; Column characterisation
Orthogonality considerations in comprehensive two-dimensional gas chromatography
Keywords: پیش بینی احتباس; Comprehensive two-dimensional gas chromatography (GCÂ ÃÂ GC); Orthogonality; Correlation; Separation space; Retention prediction; Simulation;
Retention prediction in ternary solvent reversed-phase liquid chromatography systems based on the variation of retention with binary mobile phase composition
Keywords: پیش بینی احتباس; Reversed phase liquid chromatography; Retention prediction; Ternary mobile phases;
A performance comparison of modern statistical techniques for molecular descriptor selection and retention prediction in chromatographic QSRR studies
Keywords: پیش بینی احتباس; CART; Bagging; Random forests; Gradient boosting; Genetic algorithms; QSRR; Retention prediction;