Bioinformatics | Metabolomics RT-Transformer: Retention time prediction for metabolite annotation to assist in metabolite identification. February 25, 2024
Biochemistry | Chemistry | Pharmacology Deep graph convolutional network for small-molecule retention time prediction. October 21, 2023
Chemistry | Chromatography | Machine Learning Retention time prediction for chromatographic enantioseparation by quantile geometry-enhanced graph neural network. May 29, 2023
Bioinformatics | Proteomics A transformer architecture for retention time prediction in liquid chromatography mass spectrometry-based proteomics. March 12, 2023
Analytical Chemistry | Bioinformatics | Chemoinformatics Retention time prediction for small samples based on integrating molecular representations and adaptive network. February 13, 2023
Bioinformatics | Machine Learning | Metabolomics Probabilistic metabolite annotation using retention time prediction and meta-learned projections. June 7, 2022
Analytical Chemistry | Chemistry | Data Science Deep learning for retention time prediction in reversed-phase liquid chromatography. January 9, 2022
Bioinformatics | Chemistry | Pharmacology Deep Neural Network Pretrained by Weighted Autoencoders and Transfer Learning for Retention Time Prediction of Small Molecules. November 15, 2021
Bioinformatics | Proteomics [Research progress and application of retention time prediction method based on deep learning]. July 6, 2021
Chemistry | Pharmacology Prediction of Liquid Chromatographic Retention Time with Graph Neural Networks to Assist in Small Molecule Identification. January 7, 2021
Bioinformatics | Oncology | Proteomics Cancer neoantigen prioritization through sensitive and reliable proteogenomics analysis. April 10, 2020
Bioinformatics | Chemistry | Data Science The METLIN small molecule dataset for machine learning-based retention time prediction. December 24, 2019