Introduction to standardized data analysis in targeted metabolomics

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Despite the rapid growth and large amount of data produced in the field of metabolomics, there is still a lack of awareness of the importance of targeted metabolomics data pre-processing, i.e. the very first steps of data analysis. Correct data handling at this early stage may significantly enhance later statistical data analysis and finally biological interpretation and biomarker identification. Here we address the cornerstones of standardized data analysis in targeted metabolomics ranging from common pitfalls in study design, to rules for harmonization of data pre-processing, statistical analysis and biomarker discovery.

What will you learn?

  • Current computational workflow in targeted metabolomics
  • Assessment of sample quality using metabolic features
  • Best practices in data pre-processing and analysis
  • From raw data to biomarker discovery with open source online tools

Who may this interest?

  • Metabolomics Researchers
  • Data Scientists
  • (Bio-)Statisticians
  • Analytical Chemists
  • Biologist/Biochemists
  • Clinical researchers interested in metabolomics



Simon Schafferer
Software Developer and Biostatistical Data Analyst
Biocrates Life Sciences AG, Research and Development

Simon Schafferer as software developer and biostatistical data analyst is responsible for MetIDQ software development and biostatistical analysis of complex targeted metabolomics cohorts at BIOCRATES Life Sciences AG. Computational workflows in targeted metabolomics, statistical modelling, as well as software design belong to Simon Schafferer’s activities and interests. Before he joined BIOCRATES in 2015, he earned his PhD (2010-2014) at the Institute of Genomics and RNomics, Innsbruck Medical University, Austria, where he also worked as post-doctoral research fellow, focusing on genomics, next generation sequencing and microarray data analysis of small non-coding RNAs.

Therese Koal

Therese Koal
Head of Research & Development
Biocrates Life Sciences AG

Therese Koal is as Head of Research and Development responsible for mass spectrometry (MS)-based kit design, product development including evaluation of metabolomic kit pipeline and target markets at BIOCRATES Life Sciences AG. Standardization/harmonization of metabolomics, translational medicine, medical device development and clinical laboratory diagnostics, also belong to Dr. Koal’s scope of activities and interest. Before she joined BIOCRATES in 2006, she worked at the Medical School of Hannover, Institute of Pharmacology, Germany, where she developed one of the first MS/MS-based clinical routine platform for Therapeutic Drug Monitoring (TDM) of immunosuppressive and antiretroviral drugs in Germany. Dr. Koal earned her doctorate (2000-2002) in analytical chemistry from the University of Leipzig, Germany, where she also completed a post-graduate study in toxicology (2000-2003). She has more than 20 scientific publications and 10 patents in the area of metabolomics, TDM, and analytical chemistry, is lecturer in academia for metabolomics and works in many international funding projects.

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