Scaling FEP+ for success: Strategic deployment of FEP+ and AI/ML to accelerate chemical space exploration

The ultimate challenge in modern drug discovery is converting scientific rigor into organizational scale and speed. While FEP+ provides the gold standard in predictive power, its full potential is unrealized when deployment is siloed. To access untapped potential and eliminate wasted resources, you must first address the bottlenecks and fragmentation across the project that are hindering the shift to a truly “predict-first” enterprise.

In this session, we will share experiences from expert users detailing the different tiers of FEP+ implementation and the necessary architectural support at each stage to demonstrate success. We will show how proper deployment, particularly through integration with AI/ML workflows, fundamentally changes the pace of exploration, enabling full chemical space mapping and in silico multiparameter optimization (MPO). This strategy empowers the entire project team, democratizing predictive insight and eliminating bottlenecks to design better drugs, faster.

Join us to map out your strategy for maximizing the organizational impact of FEP+ and to achieve the full potential of your computational drug discovery and business goals.

Webinar Highlights

•  Introduction to the different levels of FEP+ deployment, guiding implementation from initial use to full enterprise integration

•  Discussion of how integrating FEP+ with AI/ML workflows drives exponential acceleration in chemical space exploration and optimization

•  Demonstration of how scaling FEP+ eliminates bottlenecks and empowers entire project teams to accelerating DMTA cycles as shown by Schrödinger’s therapeutics group success stories