AI technology company SyntheticGestalt and chemical supplier Enamine have collaborated to create an in vitro validated AI-driven chemical data ecosystem.
“Together, we are building the first data ecosystem where AI predictions are grounded in experimental truth at unprecedented scale,” said SyntheticGestalt CEO Koki Shimada.
While AI is a powerful drug discovery tool, it lacks quality data. However, Enamine has a curated database of billions of highly feasible Real Compounds. It has integrated its high-throughput synthesis capabilities with on-site pharmacological and ADME-Tox tests its B-REAL discovery platform. This enables high-speed and affordable data generation.
In the partnership, SyntheticGestalt’s AI-driven predictive technologies aim to help compress drug discovery timelines from years into months.
“With strategic support from Japan’s national innovation agenda, we will generate hundreds of thousands of data points across 100 high-demand protein targets. Japanese pharma and chemical companies will benefit first, but the fusion of our technology and Enamine’s platform is designed to reshape the global molecular industry, shifting AI from concept to practical reality,” said Shimada.
The collaborative project will analyse 100 industry-relevant protein targets and prioritise Real Compounds for synthesis. Enamine will provide capabilities with the B-REAL discovery platform, such as parallel synthesis, protein production, activity assays and preclinical in vitro validation.
“The strength of this partnership lies in the iterative synergy between AI and experiment,” said Enamine director of biology Petro Borysko. “By anchoring SyntheticGestalt’s predictions in Enamine’s rapid synthesis and rigorous biological validation, we are creating a verified ecosystem that accelerates the transition from digital concepts to tangible molecular leads.”
The resulting dataset is expected to be released in 2027.
