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Xucheng Liu

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Hybrid Graph Neural Network Ensemble with Stacked Meta-Learning for Laboratory-Conditioned Chromatographic Retention-Time Prediction

Abstract Accurate prediction of chromatographic retention time (RT) is valuable for compound identification in untargeted metabolomics and forensic toxicology, yet validation must account for repeated molecular structures, chemical-space coverage, and heterogeneous laboratory sources. Here we present a hybrid ensemble...

Shengnan Wang, Qi Zhang, Xucheng Liu et al. · 0 citations

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