Barcelona, Spain, and Cambridge, United States – April 28th – 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 VASTTM 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 VASTTM 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 VASTTM 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 VASTTM chemical space and custom follow-up synthesis
- Streamline the path from virtual prediction to real-world testing.
“The integration of the VAST chemical space into exaScreen® represents a major step forward for researchers. Together with Pharmacelera, we are enabling scientists to move seamlessly from computational insights to physical compounds with unmatched efficiency.”
“This launch is fully aligned with Pharmacelera’s mission to push the boundaries of computational drug discovery.”
“We are thrilled to collaborate with XtalPi to apply our accurate QM- and ML-based algorithms to the VAST chemical Space, giving researchers access to a truly tractable and innovative chemical space.”
About XtalPi
XtalPi is an innovative technology platform company powered by artificial intelligence (Al) and robotics. Founded in 2015 on the MIT campus, XtalPi is dedicated to driving intelligent and digital transformation in the Life Sciences and new materials industries. With tightly interwoven quantum physics, Al, cloud computing, and large-scale clusters of robotic workstations, XtalPi offers a range of technology solutions, services, and products to accelerate and empower innovation for biopharmaceutical and new materials companies worldwide.
About Pharmacelera
Pharmacelera is a deep-tech science-first company founded by experienced drug hunters, high-performance computing engineers, and leading academic researchers. The company has developed a proprietary in-silico platform that integrates accurate 3D Quantum-Mechanics (QM) models with advanced Artificial Intelligence (AI) algorithms to design novel, diverse, and high-quality molecules from ultra-large and previously untapped chemical spaces. Pharmacelera solutions provide access to its cutting-edge technology for HitID, H2L and LO. Founded in 2015 and with offices in Barcelona and Boston, Pharmacelera collaborates with leading pharmaceutical and biotech organizations across Europe and the United States.
