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most citedScaling Law of Sim2Real Transfer Learning in Expanding Computational Materials Databases for Real-World Predictions

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physics.chem-ph2026

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

Stephen Wu, Yufeng Han, Yasuhiro Mito +5

Accurate prediction of high-performance liquid chromatography (HPLC) retention times (RTs) across diverse molecules and chromatographic methods remains challenging because experime…