Friday July 29th, 2022 - 10 am
Jürgen Pleiss
The EnzymeML toolbox: F.A.I.R. management and modelling of enzymatic data Jürgen Pleiss
Enzyme catalysis provides a powerful toolbox for novel, sustainable synthesis routes and innovative solutions for bio-based chemistry. A comprehensive biochemical characterization of the desired enzyme-catalyzed reaction is essential and provides the basis for enzyme engineering and process development. Standardization of reporting of enzymatic data and metadata is considered as pivotal to accelerating bioprocess development and reducing costs. Meta-research studies suggest the lack of standardization to report and share experimental protocols, results, and data as one of the causes of the reproducibility crisis in the biomedical sciences.
EnzymeML was established as a data exchange format that facilitates interoperability and reusability of enzymatic data by integrating comprehensive information on reaction conditions, time courses of substrate and product concentrations, the selected kinetic model, and the estimated kinetic constants. An Application Programming Interface facilitates the integration of applications such as electronic lab notebooks, modelling platforms, and databases. EnzymeML documents can be stored locally as files or as structured entries on the platform Dataverse, thus making biocatalytic data findable and accessible.
Last modified: Monday, 23 May 2022, 2:44 PM