Chemistry Quantitative structure-retention relationships for pyridinium-based ionic liquids used as gas chromatographic stationary phases: convenient software and assessment of reliability of the results. July 12, 2024
Analytical Chemistry | Biochemistry | Pharmacology Influence of oligonucleotides structures for separation of diastereomers by capillary electrophoresis method using polyvinylpyrrolidone 1,300,000. April 30, 2024
Chemistry | Chromatography Deep reinforcement learning for the direct optimization of gradient separations in liquid chromatography. March 5, 2024
Analytical Chemistry | Chemistry A perspective on the use of deep deterministic policy gradient reinforcement learning for retention time modeling in reversed-phase liquid chromatography. December 15, 2023
Biochemistry | Chemistry | Pharmacology Deep graph convolutional network for small-molecule retention time prediction. October 21, 2023
Analytical Chemistry | Herbal Medicine | Pharmacology A global profiling strategy for identification of the total constituents in Chinese herbal medicine based on online comprehensive two-dimensional liquid chromatography-quadrupole time-of-flight mass spectrometry combined with intelligentized chemical classification guidance. September 27, 2023
Bioinformatics | Metabolomics Highly automatic and universal approach for pure ion chromatogram construction from liquid chromatography-mass spectrometry data using deep learning. July 1, 2023
Other Deep learning-based method for automatic resolution of gas chromatography-mass spectrometry data from complex samples. January 15, 2023
Biochemistry | Biotechnology | Machine Learning | Pharmaceutical Sciences Application of advanced machine learning algorithms for anomaly detection and quantitative prediction in protein A chromatography. September 26, 2022
Metabolomics | Pharmacology | Traditional Chinese Medicine An online stepwise background subtraction-based ultra-high pressure liquid chromatography quadrupole time of flight tandem mass spectrometry dynamic detection integrated with metabolic molecular network strategy for intelligent characterization of the absorbed chemical-fingerprint of QiangHuoShengShi decoction in vivo. June 1, 2022
Chemical Engineering | Computational Chemistry Can a computer “learn” nonlinear chromatography?: Physics-based deep neural networks for simulation and optimization of chromatographic processes. May 23, 2022
Biochemistry | Chemistry Convolutional neural network for automated peak detection in reversed-phase liquid chromatography. April 17, 2022