Data-driven insights for better solvent choices. 1.34M USPTO reactions, 1976–2016, GSK-rated.

Accurate determination of a molecule’s thermodynamic properties using quantum chemistry methods is crucial for developing kinetic models. A vital step in the quantum chemical workflow is calculating t...

Accurate determination of a molecule’s thermodynamic properties using quantum chemistry methods is crucial for developing kinetic models. A vital step in the quantum chemical workflow is calculating t...

In der Forschung werden KI und Maschinenlern-Techniken immer wichtiger, erklärt der Chemiker Maarten Dobbelaere.

An ideal pharmaceutical treatment is both safe and effective for patients. However, from a sustainability perspective, it also needs to be cost-effect…