Software-driven RDM (sdRDM), a generic and extensible bottom-up research data management concept and its application in biocatalysis and beyond.
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1 to 10 of 20 Results
Kinetic modeling of enzymatic cephalexin synthesis with neural ODEs and surrogate-accelerated Bayesian inference
Dec 9, 2025
Range, Jan Peter; Pleiss, Jürgen; Bommarius, Andreas, 2025, "Kinetic modeling of enzymatic cephalexin synthesis with neural ODEs and surrogate-accelerated Bayesian inference", https://doi.org/10.18419/DARUS-5539, DaRUS, V1, UNF:6:l47sIu5Gd2e6cn3HDM5h6g== [fileUNF]
α-Amino ester hydrolases (AEHs) offer a promising route to the stereoselective synthesis of β-lactams such as cephalexin. However, published kinetic studies have encountered difficulty when extended beyond fitting of the data, indicating practical non-identifiability of the underlying kinetic models. Here, we address this issue using Bayesian infer...
Self-diffusion coefficients of simulated aqueous glycerol mixtures
Oct 28, 2022 - FAIR Fluids
Gültig, Matthias; Range, Jan Peter; Schmitz, Benjamin; Pleiss, Jürgen, 2022, "Self-diffusion coefficients of simulated aqueous glycerol mixtures", https://doi.org/10.18419/DARUS-3115, DaRUS, V1
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the standard data exchange format ThermoML. The practicability of integrating thermophysical data from experiment and simulation was demonstrated for two binary mixtures, methanol...
Densities of simulated aqueous methanol mixtures
Oct 28, 2022 - FAIR Fluids
Gültig, Matthias; Range, Jan Peter; Schmitz, Benjamin; Pleiss, Jürgen, 2022, "Densities of simulated aqueous methanol mixtures", https://doi.org/10.18419/DARUS-3112, DaRUS, V1
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the standard data exchange format ThermoML. The practicability of integrating thermophysical data from experiment and simulation was demonstrated for two binary mixtures, methanol...
Self-diffusion coefficients of simulated aqueous methanol mixtures
Oct 28, 2022 - FAIR Fluids
Gültig, Matthias; Range, Jan Peter; Schmitz, Benjamin; Pleiss, Jürgen, 2022, "Self-diffusion coefficients of simulated aqueous methanol mixtures", https://doi.org/10.18419/DARUS-3114, DaRUS, V1
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the standard data exchange format ThermoML. The practicability of integrating thermophysical data from experiment and simulation was demonstrated for two binary mixtures, methanol...
Densities of experimental aqueous methanol mixtures
Oct 28, 2022 - FAIR Fluids
Gültig, Matthias; Range, Jan Peter; Schmitz, Benjamin; Pleiss, Jürgen, 2022, "Densities of experimental aqueous methanol mixtures", https://doi.org/10.18419/DARUS-3116, DaRUS, V1
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the standard data exchange format ThermoML. The practicability of integrating thermophysical data from experiment and simulation was demonstrated for two binary mixtures, methanol...
Densities of experimental aqueous glycerol mixtures
Oct 28, 2022 - FAIR Fluids
Gültig, Matthias; Range, Jan Peter; Schmitz, Benjamin; Pleiss, Jürgen, 2022, "Densities of experimental aqueous glycerol mixtures", https://doi.org/10.18419/DARUS-3117, DaRUS, V1
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the standard data exchange format ThermoML. The practicability of integrating thermophysical data from experiment and simulation was demonstrated for two binary mixtures, methanol...
Tracer-diffusion coefficients of experimental aqueous methanol mixtures
Oct 28, 2022 - FAIR Fluids
Gültig, Matthias; Range, Jan Peter; Schmitz, Benjamin; Pleiss, Jürgen, 2022, "Tracer-diffusion coefficients of experimental aqueous methanol mixtures", https://doi.org/10.18419/DARUS-3118, DaRUS, V1
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the standard data exchange format ThermoML. The practicability of integrating thermophysical data from experiment and simulation was demonstrated for two binary mixtures, methanol...
Self-diffusion coefficients of experimental aqueous glycerol mixtures
Oct 28, 2022 - FAIR Fluids
Gültig, Matthias; Range, Jan Peter; Schmitz, Benjamin; Pleiss, Jürgen, 2022, "Self-diffusion coefficients of experimental aqueous glycerol mixtures", https://doi.org/10.18419/DARUS-3119, DaRUS, V1
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the standard data exchange format ThermoML. The practicability of integrating thermophysical data from experiment and simulation was demonstrated for two binary mixtures, methanol...
Viscosities of experimental aqueous methanol mixtures
Oct 28, 2022 - FAIR Fluids
Gültig, Matthias; Range, Jan Peter; Schmitz, Benjamin; Pleiss, Jürgen, 2022, "Viscosities of experimental aqueous methanol mixtures", https://doi.org/10.18419/DARUS-3120, DaRUS, V1
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the standard data exchange format ThermoML. The practicability of integrating thermophysical data from experiment and simulation was demonstrated for two binary mixtures, methanol...
Viscosities of experimental aqueous glycerol mixtures
Oct 28, 2022 - FAIR Fluids
Gültig, Matthias; Range, Jan Peter; Schmitz, Benjamin; Pleiss, Jürgen, 2022, "Viscosities of experimental aqueous glycerol mixtures", https://doi.org/10.18419/DARUS-3121, DaRUS, V1
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the standard data exchange format ThermoML. The practicability of integrating thermophysical data from experiment and simulation was demonstrated for two binary mixtures, methanol...
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