June 19, 15.30 -17:00h, online
Online Benelux Metabolomics Seminar on
"Metabolomics @SILS (Swammerdam Institute for Life Sciences), UvA”
Organised by Prof. Aalt-Jan van Dijk, Biosystems Data Analysis Group and dr Gertjan Kramer, Swammerdam Institute for Life Sciences, UvA, NL
Summary
Gertjan Kramer (Mass Spectrometry of Biomolecules – SILS)
Metabolomics at the Swammerdam Institute for Life Sciences (SILS) encompasses different disciplines from experimental biologists and analytical chemists to data-science experts. In today’s seminar two prominent Data Scientists from SILS and the van ‘t Hoff Institute for Molecular Sciences (HIMS), will present their view on data science in metabolomic research highlighting different aspects and developments they see for the future.
Aalt-Jan van Dijk (Biosystems Data Analysis – SILS)
Title: Computational methodologies Enhancing Metabolomics Research
The Biosystems Data Analysis group (www.bdagroup.nl) at SILS develops advanced methods to analyse complex biological and biomedical data. I will give an overview of some of the methodology and applications relevant for metabolomics research. Much of this takes place at the interface between metabolomics and bioinformatics and aims to provide biological insights resulting from integrating metabolomics data with measurements from other omics technologies. The computational methodology ranges from methods based on latent variables to summarize the systematic effects observed in high dimensional data (e.g. PARAFAC, ASCA) to protein-structure based machine learning to predict enzyme product specificity. Applications range from (i) signalling between plants and root-colonizing fungi to (ii) the analysis of human milk composition to find metabolite signatures linked to infant growth to (iii) using genome-scale metabolic models to predict species interactions and metabolite levels in the human gut.
Saer Samanipour (Analytical Chemistry – HIMS)
Title: Data Science Enhanced mapping of Exposome Chemical Space.
Exposome chemical space consists of many small organic molecules to which we are exposed throughout our lives. In this talk, I will explore the latest computational mass spectrometry developments in exploring and mapping such a large chemical space. This talk will cover each step of the chemical identification process from the data pre-processing to the final identification and confidence assessment.
Please register here.