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Year | Number of Results |
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2021 | 1 |
2022 | 2 |
2023 | 3 |
2024 | 1 |
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Page 1
Chemometric Strategies for Fully Automated Interpretive Method Development in Liquid Chromatography.
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.
InSpectra - A platform for identifying emerging chemical threats.
Feraud M, O'Brien JW, Samanipour S, Dewapriya P, van Herwerden D, Kaserzon S, Wood I, Rauert C, Thomas KV.
Feraud M, et al. Among authors: van herwerden d.
J Hazard Mater. 2023 Aug 5;455:131486. doi: 10.1016/j.jhazmat.2023.131486. Epub 2023 Apr 24.
J Hazard Mater. 2023.
PMID: 37172382
Free article.
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Collision Cross Section Prediction with Molecular Fingerprint Using Machine Learning.
Yang F, van Herwerden D, Preud'homme H, Samanipour S.
Yang F, et al. Among authors: van herwerden d.
Molecules. 2022 Sep 29;27(19):6424. doi: 10.3390/molecules27196424.
Molecules. 2022.
PMID: 36234961
Free PMC article.
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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. Among authors: van herwerden d.
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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Inter-laboratory mass spectrometry dataset based on passive sampling of drinking water for non-target analysis.
Schulze B, van Herwerden D, Allan I, Bijlsma L, Etxebarria N, Hansen M, Merel S, Vrana B, Aalizadeh R, Bajema B, Dubocq F, Coppola G, Fildier A, Fialová P, Frøkjær E, Grabic R, Gago-Ferrero P, Gravert T, Hollender J, Huynh N, Jacobs G, Jonkers T, Kaserzon S, Lamoree M, Le Roux J, Mairinger T, Margoum C, Mascolo G, Mebold E, Menger F, Miège C, Meijer J, Moilleron R, Murgolo S, Peruzzo M, Pijnappels M, Reid M, Roscioli C, Soulier C, Valsecchi S, Thomaidis N, Vulliet E, Young R, Samanipour S.
Schulze B, et al. Among authors: van herwerden d.
Sci Data. 2021 Aug 24;8(1):223. doi: 10.1038/s41597-021-01002-w.
Sci Data. 2021.
PMID: 34429429
Free PMC article.
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Cumulative Neutral Loss Model for Fragment Deconvolution in Electrospray Ionization High-Resolution Mass Spectrometry Data.
van Herwerden D, O'Brien JW, Lege S, Pirok BWJ, Thomas KV, Samanipour S.
van Herwerden D, et al.
Anal Chem. 2023 Aug 22;95(33):12247-12255. doi: 10.1021/acs.analchem.3c00896. Epub 2023 Aug 7.
Anal Chem. 2023.
PMID: 37549176
Free PMC article.
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Workflow to facilitate the detection of new psychoactive substances and drugs of abuse in influent urban wastewater.
Bade R, van Herwerden D, Rousis N, Adhikari S, Allen D, Baduel C, Bijlsma L, Boogaerts T, Burgard D, Chappell A, Driver EM, Sodre FF, Fatta-Kassinos D, Gracia-Lor E, Gracia-Marín E, Halden RU, Heath E, Jaunay E, Krotulski A, Lai FY, Löve ASC, O'Brien JW, Oh JE, Pasin D, Castro MP, Psichoudaki M, Salgueiro-Gonzalez N, Gomes CS, Subedi B, Thomas KV, Thomaidis N, Wang D, Yargeau V, Samanipour S, Mueller J.
Bade R, et al. Among authors: van herwerden d.
J Hazard Mater. 2024 Mar 5;469:133955. doi: 10.1016/j.jhazmat.2024.133955. Online ahead of print.
J Hazard Mater. 2024.
PMID: 38457976
Free article.
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