Autoregressive LSTM and Transformer models achieve 98% top-1 accuracy predicting next eluting m/z bin from prior sequence features in lipidomics data across cohorts.
Current status of retention time prediction in metabolite identi- fication.Journal of Separation Science, 43(9-10):1746–1754, 2020
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The Language of Elution: Autoregressive Prediction of the Next Feature in Untargeted LC-HRMS Lipidomics
Autoregressive LSTM and Transformer models achieve 98% top-1 accuracy predicting next eluting m/z bin from prior sequence features in lipidomics data across cohorts.