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Author

Hikaru Takaya

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Preprint Sep 2026

Simulation-Supervised Foundation Models for Retention Time Prediction in High-Performance Liquid Chromatography beyond Experimental Data Coverage

Accurate prediction of high-performance liquid chromatography (HPLC) retention times (RTs) across diverse molecules and chromatographic methods remains challenging because experimental training data cover only a limited region of chemical and method spaces. Here, we develop FUSE-RT (Foundation model Unifying Simulation...

Stephen Wu, Yuxuan Han, Yasuhiro Mito et al. · 0 citations

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