Analytical Chemistry | Biochemistry | Pharmaceutical Sciences GCMSFormer: A Fully Automatic Method for the Resolution of Overlapping Peaks in Gas Chromatography-Mass Spectrometry. April 1, 2024
Chemistry | Food Science Deep-Learning-Based Mixture Identification for Nuclear Magnetic Resonance Spectroscopy Applied to Plant Flavors. November 14, 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
Chemistry | Materials Science | Pharmaceutical Sciences A Universal and Accurate Method for Easily Identifying Components in Raman Spectroscopy Based on Deep Learning. March 13, 2023
Other Deep learning-based method for automatic resolution of gas chromatography-mass spectrometry data from complex samples. January 15, 2023
Bioinformatics | Metabolomics Fusion of Quality Evaluation Metrics and Convolutional Neural Network Representations for ROI Filtering in LC-MS. January 4, 2023
Drug Discovery | Pharmacology Prediction of Drug-likeness using Graph Convolutional Attention Network. October 12, 2022
Chemistry | Data Science | Spectroscopy Deep Learning-Based Method for Compound Identification in NMR Spectra of Mixtures. June 24, 2022
Biochemistry | Chemistry Fully automatic resolution of untargeted GC-MS data with deep learning assistance. March 31, 2022
Chemistry | Pharmacology Prediction of Liquid Chromatographic Retention Time with Graph Neural Networks to Assist in Small Molecule Identification. January 7, 2021
Analytical Chemistry | Bioinformatics | Chemistry Predicting a Molecular Fingerprint from an Electron Ionization Mass Spectrum with Deep Neural Networks. June 25, 2020