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Wed, 14 Oct



Metabolomics Webinar with Dr Justin J.J. van der Hooft

Natural product mining through mass spectrometry-based metabolomics approaches aided by natural language processing and genome mining

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Time & Location

14 Oct 2020, 14:00


About the event

Dr Justin J.J. van der Hooft will introduce the challenges of metabolite annotation and identification in untargeted metabolomics experiments of complex mixtures typically encountered in natural products and food research. Dr van der Hooft will highlight how recently developed tools inspired by natural language processing facilitate metabolomics analyses. It is important to note that the primary aim here is to provide participants with a feeling for the breadth of tools that has become available over the last years rather than an in-depth knowhow on their functioning. Dr van der Hooft will present the motivation and concepts behind MS2LDA, a metabolome mining tool to discover substructures in mass spectrometry fragmentation patterns that were coined Mass2Motifs. Dr van der Hooft will also introduce the recently proposed Spec2Vec workflow that resulted in a novel spectral similarity score and showcase recent additions to the GNPS Molecular Networking ecosystem that allow to use and reuse LC-MS/MS data: ReDU, MASST, and QemisTree. Genome mining has become a key player in assessing the chemical potential of bacteria and fungi. To close out, Dr van der Hooft will introduce the genome mining antiSMASH - BiG-SCAPE - BiGSLiCE trilogy and provide his view on how to combine metabolome mining and genome mining approaches to further our understanding of the fascinating natural product diversity.

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