Chemify founder Lee Cronin has published three peer-reviewed papers outlining how chemistry processes can be digitised and executed using automated systems, with potential applications in drug discovery.

The papers, published across PNAS, Nature Communications Chemistry and Nature Communications Biology, describe the concept of “chemputation”, which aims to translate chemical synthesis into programmable instructions that can be carried out by robotic systems.

Together, the studies explore how chemical reactions can be standardised, reproduced and iterated using software-driven platforms, rather than relying solely on manual laboratory work.

Cronin said: “Chemputation has been established as a new paradigm, critical for the future of chemical discovery and manufacture, and I’m proud that Chemify is building on these discoveries delivering real molecules using Chemputation AI to our partners.”

One paper demonstrates that chemical compounds can be synthesised using a unified programming approach, supporting the idea that chemistry workflows could be encoded and repeated across different systems.

A second study focuses on the use of large language models to interpret and verify published scientific methods, enabling automated systems to reproduce experiments described in the literature. The approach aims to reduce variability and improve the reliability of reported results.

The third paper applies the platform to early-stage drug discovery, showing how automated systems can generate and test compounds targeting kinase activity in a model of KRAS-mutant colorectal cancer.

Cronin added: “Chemputation shifts chemistry from an artisanal practice to an executable, verifiable and shareable technology and opens the door to a future where drugs, materials and entirely new and makeable molecules can be designed, compiled and manufactured as easily as software.”

While the findings highlight the potential for increased automation in chemistry, the work remains at an early stage, with further validation needed before such systems can be widely adopted in drug development or manufacturing.

The research was conducted with collaborators at the University of Glasgow, where Cronin leads a laboratory focused on digital chemistry systems.

Chemify, a spin-out from the university, is developing commercial applications based on the chemputation platform, including automated synthesis and molecular design tools for pharmaceutical and materials research.

The publication of the three papers in close succession reflects growing interest in combining artificial intelligence, robotics and chemistry to accelerate discovery workflows and improve reproducibility across the field.