van der Hooft

Sep 30, 2024 | academic.oup.com | Bioinformatics Group |van der Hooft |Justin J. J

Computational metabolomics workflows have revolutionized the untargeted metabolomics field. However, the organization and prioritization of metabolite features remains a laborious process. Organizing metabolomics data is often done through mass fragmentation-based spectral similarity grouping, resulting in feature sets that also represent an intuitive and scientifically meaningful first stage of analysis in untargeted metabolomics.

Aug 1, 2024 | zenodo.org | van der Hooft

This is a local CSV file of the Natural Products Atlas (NPAtlas, https://www.npatlas.org/joomla/) for MetFrag (https://msbi.ipb-halle.de/MetFrag/). Data was extracted to CSV from the TSV download from the NPAtlas website, with column headers for compulsory fields adjusted to fit the MetFrag format.

Nov 13, 2023 | frontiersin.org | van der Hooft |Justin J.J |VU Amsterdam

Christophe Junot1 Farhana R. Pinu2 Justin J.J. van der Hooft3 Sofia Moco4* 1Université Paris-Saclay, France 2The New Zealand Institute for Plant and Food Research Ltd, New Zealand 3Wageningen University and Research, Netherlands 4VU Amsterdam, Netherlands The final, formatted version of the article will be published soon. Receive an email when it is updated modern instruments.

Feb 24, 2023 | eprints.gla.ac.uk | van der Hooft |Justin J.J

Wandy, J. , Mcbride, R., Rogers, S. , Terzis, N., Weidt, S., van der Hooft, J. J.J. , Bryson, K. , Daly, R. and Davies, V. (2023) Simulated-to-real benchmarking of acquisition methods in untargeted metabolomics. Frontiers in Molecular Biosciences, (Accepted for Publication)Full text not currently available from Enlighten.