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- Titel:
External appendix of the dissertation "Transferable retention time prediction for liquid chromatography-mass spectrometry-based metabolomics"
- Dokumenttyp:
- Forschungsdaten
- Veröffentlichungsdatum:
- 19.07.2024
- Verantwortlich:
- Harrieder, Eva-Maria
- Autorinnen / Autoren:
- Harrieder, Eva-Maria; Kretschmer, Fleming; Böcker, Sebastian; Witting, Michael
- Institutionszugehörigkeit:
- Research Unit Analytical BioGeoChemistry, Helmholtz Zentrum München
- Herausgeber:
- TUM
- Identifikator:
- doi:10.14459/2024mp1747392
- Enddatum der Datenerzeugung:
- 30.10.2023
- Fachgebiet:
- CHE Chemie; NAT Naturwissenschaften (allgemein)
- Quellen der Daten:
- Experimente und Beobachtungen / experiments and observations; Statistik und Referenzdaten / statistics and reference data
- Datentyp:
- Tabellen / tables
- Methode der Datenerhebung:
- Appendix_A_Chapter_2: datasets manually collected from public repositories Metabolomics Workbench and MetaboLights
- Beschreibung:
- This data serves as an external appendix to the dissertation. The two tables are the Supplementary Information of Chapter 2 (and the related publication). One contains the list of datasets collected by Metabolomics Workbench and one by MetaboLights, each with the corresponding chromatographic metadata.
- Links:
- Related publication: https://www.sciencedirect.com/science/article/abs/pii/S157002322100550X
- Schlagworte:
- retention time; liquid-chromatography; mass-spectrometry; retention time prediction; least absolute shrinkage and selection; multi-layer perceptron; random forest; support vector machine; extreme gradient boosting; quantitative structure retention relationship
- Technische Hinweise:
- View and download (376 KB total, 4 Files)
The data server also offers downloads with FTP
The data server also offers downloads with rsync (password m1747392.diss):
rsync rsync://m1747392.diss @dataserv.ub.tum.de/m1747392.diss/ - Sprache:
- en
- Andere Rechte:
- © 2021 Elsevier B.V. All rights reserved.
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