Deep neural network model coupled with graph attention network (GAT) and 1D-Transformer to predict Rention Time.
The SMRT dataset from the METLIN library was used for pretraining.
Reference: (1) xue jun, Wang B, li W. RT-Tranformer: Retention Time Prediction for Metabolite Annotation to Assist in Metabolite Identification. ChemRxiv. Cambridge: Cambridge Open Engage; 2023; This content is a preprint and has not been peer-reviewed.