LAUNCH Smarter Chemistry

Richard Threlfall: Wiley Science Solutions

Wiley Science Solutions

The team’s project is the Wiley ChemPlanner, a state-of-the-art computer-aided synthesis design (CASD) software that uses a rule-based approach to predict multiple complete synthesis routes to target compounds, even if the targets are novel entities. ChemPlanner’s predictions are supported by empirical data from millions of known reactions in the literature, and advanced chemoinformatics algorithms perform retrosynthesis to generate tens of potential synthesis options from commercially available starting materials to assist chemists in creating new, resource-efficient chemical syntheses.