Bayesian optimization of separation gradients to maximize the performance of untargeted LC-MS
Huaxu Yu, Puja Biswas, Elizabeth J. Rideout, Yankai Cao, Tao Huan
This paper introduces BAGO, a Bayesian optimization method for optimizing LC gradients in untargeted LC-MS, improving compound annotation and spectral purity.
bioRxiv · Sep 8, 2023 · PreprintBioinformatics