AI & Simulation for Drug Design

Molecular design using AI, simulation & medicinal chemistry

• Appropriate methods are chosen from cutting-edge AI technologies and proven methods to deliver high-quality results.
• When activity prediction by AI is difficult for small data sets, highly accurate simulation techniques such as FEP are used.
• Experienced medicinal chemists evaluate the AI/simulation results in making a final decision.

Strengths of Xeureka’s Molecular Generation