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.
PredRet: Prediction of retention time by direct mapping between multiple chromatographic systems.Analytical Chemistry, 87(18):9421–9428, 2015
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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.