1 code implementation • 9 Dec 2020 • Philippe Schwaller, Daniel Probst, Alain C. Vaucher, Vishnu H. Nair, David Kreutter, Teodoro Laino, Jean-Louis Reymond
Organic reactions are usually assigned to classes containing reactions with similar reagents and mechanisms.
no code implementations • 16 Aug 2019 • Daniel Probst, Jean-Louis Reymond
The chemical sciences are producing an unprecedented amount of large, high-dimensional data sets containing chemical structures and associated properties.