Maria: a unique platform for rapid synthesis of large libraries of drug-like compounds at microliter scale, with broad applications in drug discovery

Project overview

Together with the Institute of Pharmacology of the Polish Academy of Sciences, Molecule One is building an innovative IT-robotic platform called "Maria" — named in honor of Maria Skłodowska-Curie. It combines laboratory robotics with AI-driven software, enabling the synthesis and testing of very large libraries of chemical compounds at microliter scale (30–100 µL).

What we're building

The system includes robotic modules for running chemical reactions, rapid sample purification methods, and comprehensive control software — Maria OS — for planning, analysis, and process control. A key element is the development of AI algorithms that predict reaction success at microliter scale and select the most promising experimental conditions across 3 new reaction classes. The Institute of Pharmacology PAS is developing biological activity models targeting GPCR receptors, using virtual screening, machine learning, and in vitro studies.

Project goal

By combining microliter-scale high-throughput experimentation (HTE), AI, and full process automation, Maria will cut the time from order to compound creation from weeks to ≤28 hours, lowering the cost per compound to approximately 50 USD.

Who it's for

The solution is aimed at global pharmaceutical and biotech companies conducting drug discovery research, as well as academic institutions and smaller companies in medicinal chemistry. The platform will lower the barrier to world-class research, giving smaller institutions access to tools previously reserved for the biggest players.

Expected outcomes

The project will generate a unique dataset covering over 100,000 chemical reactions and biological tests, used to further train AI models. The expected effect can be compared to building a "machine for rapid testing of drug candidates" — accelerating the discovery of new therapies, including in mental health, neurodegenerative, and metabolic diseases.

Project financed under the Fundusze Europejskie dla Nowoczesnej Gospodarki 2021-2027 programme, Priority I, based on funding agreement No. FENG.01.01-IP.01-A19N/25-00 concluded with the National Centre for Research and Development (NCBR).