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Uncertainty-Aware Learning of Multiple Conditions as a Framework for Streamlined Retention Time Prediction to Accelerate Method Development.

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Title: Uncertainty-Aware Learning of Multiple Conditions as a Framework for Streamlined Retention Time Prediction to Accelerate Method Development.
Authors: Beck AG; Analytical Research & Development, MRL, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Jones G; Data Science and Scientific Informatics, MRL, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Singh A; Analytical Research & Development, MRL, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Fine J; Analytical Research & Development, MRL, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Shrestha R; Data Science and Scientific Informatics, MRL, Merck & Co., Inc., Cambridge, 02141 Massachusetts, United States., Barrientos RC; Analytical Research & Development, MRL, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Sherer EC; Analytical Research & Development, MRL, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Williams KB; Research & Development Sciences Information Technology, MRL, Merck & Co., Inc., Rahway, New Jersey 07065 , United States., Regalado EL; Analytical Research & Development, MRL, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Aggarwal P; Analytical Research & Development, MRL, Merck & Co., Inc., Rahway, New Jersey 07065, United States.
Source: Analytical chemistry [Anal Chem] 2026 Feb 17; Vol. 98 (6), pp. 4777-4790. Date of Electronic Publication: 2026 Feb 02.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 0370536 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-6882 (Electronic) Linking ISSN: 00032700 NLM ISO Abbreviation: Anal Chem Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
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        Value: 10.1021/acs.analchem.5c06729
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