Unique predictive software tool helps chemists to plan synthetic routes
Wiley ChemPlanner is a first-of-its-kind tool that integrates computer-aided synthesis design capabilities with reaction mining approaches to offer productivity gains in synthesis planning. Designed for organic chemists in discovery and process development, ChemPlanner is an idea generator that will assist chemists in pharma, fine chemicals, agrochem and other sectors of the life sciences and chemical industries in discovering novel approaches for synthesizing their target molecules, and in identifying the optimal synthetic routes.
ChemPlanner can make creating routes faster and easier. With its combination of predictive reactions and curated information, the tool delivers the best of both worlds – computer-aided synthetic design backed up by millions of empirical reactions.
ChemPlanner, radically, not only gives the chemist existing experimental results but also predicts reactions that should and do exist but have not yet been captured in the literature. For hundreds of molecules that chemists need to create to get to one drug, the software returns thousands of routes for them to consider.
For the chemist, ChemPlanner delivers increased productivity, time saved and solutions returned they may not have thought of, and, with an ability to select for cost and environmentally cleaner processes, the software delivers an all-round additional tool to both the drug discovery workflow and to other parts of the chemical industry. For instance, ChemPlanner has the potential to cut time in the drug discovery workflow and with the possibility of increasing throughput and getting new life-saving drugs to patients faster.