Paving the road towards automated homogeneous catalyst design

In the past decade, computational tools have become integral to catalyst design. They continue to offer significant support to experimental organic synthesis and catalysis researchers aiming for optimal reaction outcomes. More recently, data-driven approaches utilizing machine learning have garnered considerable attention for their expansive...

Machine Learning Approach for the Prediction of Eutectic Temperatures for Metal-Free Deep Eutectic Solvents

Deep eutectic solvents (DESs) represent an environmentally friendly alternative to conventional organic solvents. Their liquid range determines the areas of application, and therefore, the prediction of solid-liquid equilibrium (SLE) diagrams is essential for developing new DESs. Such predictions are not yet possible by using the current...