Barcelona, Spain, and Kyiv, Ukraine – March 3, 2026 – Pharmacelera, the deeptech company pushing the limits of computational technologies for drug discovery, and Chemspace, a global provider of small molecules and drug discovery services, today announced the launch of a powerful new joint solution that integrates the Chemspace Freedom Space 5.0 with Pharmacelera’s flagship virtual screening platform, exaScreen®. This launch provides researchers with unprecedented access to synthetically tractable chemical space combined with cutting-edge computational methods for hit 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 3D Quantum-Mechanics (QM) and Machine Learning (ML)-driven algorithms with the Chemspace Freedom Space, a curated collection of 296 billion chemically diverse and highly synthesizable compounds.
With this launch, researchers will be able to:
- Conduct accurate and efficient virtual screening across the Chemspace Freedom Space.
- Rapidly source and synthesize compounds for experimental validation.
- Expand opportunities to generate novel Intellectual Property (IP) through unexplored chemical space.
- Streamline the path from virtual prediction to real-world testing.
"Freedom Space 5.0 was built to give researchers access to unprecedented chemical diversity while solving one of virtual screening's most persistent challenges — synthetic accessibility. Integrating Freedom Space 5.0 with exaScreen® combines the scale of 296 billion synthesizable compounds with Pharmacelera's algorithms, enabling accurate virtual screening across an ultra-large yet tractable chemical space. This combination gives researchers a truly powerful tool to identify novel, high-quality hits that would remain undiscovered with conventional libraries and screening approaches"
“Leveraging the information contained in ultra-large chemical spaces through highly accurate 3D algorithms is key to accelerating and strengthening intellectual property in modern drug discovery. We are thrilled to collaborate with Chemspace to apply our accurate 3D QM- and ML-based algorithms to Freedom Space 5.0 , giving researchers access to a truly tractable and innovative chemical space”
About Chemspace
Chemspace is a global platform for discovering, designing, and delivering small molecules, providing integrated solutions for early-stage drug discovery through both online and offline platforms. The Chemspace online platform offers a comprehensive solution for molecule discovery, purchasing, and procurement, enabling exploration of trillions of small molecules. With customizable catalog access, flexible purchasing options, and advanced compound management tools, the platform delivers a streamlined experience from search to synthesis. The Chemspace offline platform provides end-to-end discovery services, including AI/ML-driven design, virtual screening, cheminformatics, chemistry, and biology services. This integrated approach supports hit identification, optimization, and biological validation within a coordinated workflow.
For more information, visit https://chem-space.com/search
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 headquartered in Barcelona, Spain, Pharmacelera collaborates with leading pharmaceutical and biotech organizations across Europe and the United States.
Contact:
Chemspace
Olga Tarkhanova, Ph.D., CEO
o.tarkhanova@chem-space.com
Pharmacelera
Enric Gibert, Ph.D., CEO
contact@pharmacelera.com
