Barcelona, Spain, and Cambridge, United States – April 28^th – Pharmacelera, the leading provider of advanced computational tools for drug discovery, and XtalPi, a pioneering Drug Discovery powered by AI and Automation, today announced the launch of a powerful new joint solution that integrates the XtalPi’s VAST^TM library with Pharmacelera’s flagship virtual screening platform, exaScreen^®. This launch will provide researchers with unprecedented access to synthetically tractable chemical space combined with cutting-edge 3D computational methods for hit and lead discovery.

As the pharmaceutical industry increasingly turns to ultra-large libraries to identify novel hits, the challenge lies in navigating chemical diversity accurately while ensuring synthetic feasibility. The new joint solution directly addresses this challenge by combining Pharmacelera’s advanced Quantum-Mechanics-based tools with the XtalPi VAST^TM chemical space, a curated collection of chemically diverse and highly synthesizable compounds.

With this launch, researchers can:

• Conduct accurate and efficient virtual screening across the VAST^TM library either through the licensing of the technology or through service projects
• Rapidly source and synthesize compounds for experimental validation.
• Expand opportunities to generate novel Intellectual Property (IP) through VAST^TM chemical space and custom follow-up synthesis
• Streamline the path from virtual prediction to real-world testing.