MedChem Game

Drug Game is an application that allows you to design your own chemical compounds and test them in a simulated virtual environment. Several common drug targets are featured in this game. For example, you can design therapeutic organic compounds to treat Alzheimer’s disease that is often connected to the beta-secretase enzyme. Your compound structures will be tested in a virtual laboratory that evaluates binding affinity, druglikeness, and synthetic accessibility. The best achieved scores can be then compared against other players on a leaderboard.

The players compete against each other and artificial intelligence programs. These algorithms were programmed to create compounds of high binding affinity, and they will learn from other players over time.

Current version contains:
- multiple protein targets,
- a drawing tool for designing chemical compounds,
- a leaderboard summarizing human and computer players’ results.

In the future versions, we plan to:
- add a ligand-protein interaction viewer,
- add more gamification, e.g. points for high-scoring compounds and difficulty levels,
- implement many more improvements.