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Computer-driven optimization of complex gradients in comprehensive two-dimensional liquid chromatography.
J Chromatogr A. 2023 Sep 27;1707:464306. doi: 10.1016/j.chroma.2023.464306. Epub 2023 Aug 18.
J Chromatogr A. 2023.
PMID: 37639847
Free article.
Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data.
Boelrijk J, van Herwerden D, Ensing B, Forré P, Samanipour S.
Boelrijk J, et al.
J Cheminform. 2023 Feb 24;15(1):28. doi: 10.1186/s13321-023-00699-8.
J Cheminform. 2023.
PMID: 36829215
Free PMC article.
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Closed-loop automatic gradient design for liquid chromatography using Bayesian optimization.
Boelrijk J, Ensing B, Forré P, Pirok BWJ.
Boelrijk J, et al.
Anal Chim Acta. 2023 Feb 15;1242:340789. doi: 10.1016/j.aca.2023.340789. Epub 2023 Jan 5.
Anal Chim Acta. 2023.
PMID: 36657888
Free article.
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Chemometric Strategies for Fully Automated Interpretive Method Development in Liquid Chromatography.
Bos TS, Boelrijk J, Molenaar SRA, van 't Veer B, Niezen LE, van Herwerden D, Samanipour S, Stoll DR, Forré P, Ensing B, Somsen GW, Pirok BWJ.
Bos TS, et al. Among authors: boelrijk j.
Anal Chem. 2022 Nov 22;94(46):16060-16068. doi: 10.1021/acs.analchem.2c03160. Epub 2022 Nov 1.
Anal Chem. 2022.
PMID: 36318471
Free PMC article.
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Bayesian optimization of comprehensive two-dimensional liquid chromatography separations.
Boelrijk J, Pirok B, Ensing B, Forré P.
Boelrijk J, et al.
J Chromatogr A. 2021 Dec 6;1659:462628. doi: 10.1016/j.chroma.2021.462628. Epub 2021 Oct 14.
J Chromatogr A. 2021.
PMID: 34731752
Free article.
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