California, US & Barcelona, Spain — October 13th, 2025 —
Together with eMolecules we announce the launch of a new integrated solution combining ExaScreen® with the eMolecules eXplore/Synple library. The partnership delivers researchers a streamlined path from virtual screening to physical compounds, accelerating early-stage drug discovery.
The pharmaceutical industry increasingly relies on large, diverse libraries to identify novel hits. Yet, efficiently navigating chemical space while ensuring synthetic feasibility remains a key challenge. The new solution combines Pharmacelera’s Quantum-Mechanics (QM) and Machine Learning (ML)-driven algorithms with the eXplore/Synple library’s curated, synthetically tractable compounds, enabling scientists to quickly identify, source, and test new chemical matter:
- Accurate screening of tractable chemical space using ExaScreen®
- Rapid access to compounds for experimental validation via eMolecules
- Novel IP opportunities through exploration of untapped chemical diversity
- End-to-end workflow from computational predictions to physical samples
“Our collaboration with Pharmacelera brings a powerful combination of computational precision and practical compound access,” said Jeff Desroches, SVP Corporate Development.
“Partnering with eMolecules aligns perfectly with Pharmacelera’s strategy of working with leading organizations that complement our technology and expertise,” said Rémy Hoffmann, Chief Business Development Officer at Pharmacelera.
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About eMolecules
eMolecules is driven to improve the human condition by enabling scientists to accelerate their research to find effective therapeutics. To achieve this, eMolecules provides business intelligence data and integrated ecommerce software for screening compounds, chemical building blocks and primary antibody supply chains. These tools, combined with their acquisition, aggregation and analytical services, greatly empower drug discovery researchers working in the pharmaceutical, biotechnology, academia, CRO and agrichemical industries. eMolecules was founded in 2005 at its San Diego, California, USA headquarters and has offices and laboratory space in San Diego and London, UK, employing nearly 60 people, globally.
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 provides access to its cutting-edge technology for HitId, H2L and LO through yearly software licenses and it also offers AI-driven drug discovery services spanning the entire small-molecule pipeline. The company has a growing customer base across Europe and the United States, including several top-tier pharmaceutical companies.