Preprint
Sep 2026
Simulation-Supervised Foundation Models for Retention Time Prediction in High-Performance Liquid Chromatography beyond Experimental Data Coverage
FUSE-RT is developed, a multitask foundation model that integrates RT data from 179 chromatographic methods and adapts to unseen molecules and methods using limited target-domain data and establishes Sim2Real transfer as a scalable strategy for extending RT prediction beyond the finite coverage of experimental chromato...
Stephen Wu, Yuxuan Han, Yasuhiro Mito et al.
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