AI helps chemists consider more options when it comes to picking the best reactants for an experiment

Chemists have created a ‘scope score’ to help evaluate the breadth of a reaction with less bias.

Choosing which substrates to work with is an important part of developing a chemical reaction. Yet despite their importance, reaction scopes have traditionally been generated and evaluated subjectively, with chemists relying largely on their own judgement to decide which molecules to test and which to leave out. This means that useful chemistries may be missed.