Computer- Assisted Asymmetric Synthesis with VIRTUAL CHEMIST'

Résumé

Most catalysts are currently optimized through trials-and-errors, a very tedious and inefficient approach. Alternatively, some process chemistry groups are using robotics to screen several catalysts experimentally. However, this approach can hardly be used to discover new ones or optimize existing ones as it is restricted to commercially available chemicals (or chemicals available in house) and does not explore a significant portion of the vast chemical space.