Data and Code for ''Bayesian Optimized Electrosynthesis of Azobenzenes in a Self-Optimizing Flow Set-up: from DoE-guidance to Gram-Scale Preparation''

With this system, the electro-reduction of nitrobenzenes to azobenzenes was optimized. In particular, a Design of Experiments (DoE) campaign was performed which was subsequently used as the initial data set for autonomous Bayesian optimization (BO) strategy.

The attached files contain the software that got used for processing NMR data, controls the devises (LABS backend), the user interface and Bayesian optimizer (LABS frontend). Also all raw and processed NMR spectra are provided from the initial Experiments, the validation, the DoE, the BO and the pure compounds from scope and scale-up.