Navigating chemical libraries containing tens of billions of potential drug molecules presents a significant challenge for drug hunters. Seeking to streamline this process, Recursion (NASDAQ: RXRX), a clinical-stage TechBio company, and Enamine, an integrated discovery Contract Research Organisation (CRO), have announced a new collaboration.
The partnership hinges on applying machine learning predictions from its Recursion OS platform, Recursion analyzed Enamine’s REAL (Readily Accessible) Space chemical library—which now contains nearly 65 billion make-on-demand compounds—to curate 10 focused screening libraries. These libraries, comprising over 15,000 newly synthesized compounds, aim to accelerate the identification of novel hits against 100 key and clinically relevant drug targets, particularly in difficult biological areas, by pre-selecting candidates with predicted compatibility.
Nearly 65 billion compounds. That’s the current scale of Enamine’s REAL Space chemical universe. While parts have been virtually screened before, the companies state this collaboration marks the first large-scale application of Recursion’s AI platform across this domain to generate commercially available libraries. The platform simultaneously assessed candidates against 100 distinct biological targets using ML predictions. The outcome: focused libraries, curated by predicted compatibility via the Recursion OS, intended to deliver higher-quality hits faster than traditional high-throughput screening (HTS) alone. In essence, the approach emphasizes smarter curation over simply wider searching.
Each of the 10 libraries targets specific sets of challenging biological areas where conventional screening has historically struggled. Rather than relying solely on volume screening, the collaboration taps predictive precision. Recursion’s OS identified compounds within Enamine’s chemical possibilities predicted to interact with selected protein targets. Enamine then synthesized more than 15,000 of these prioritized compounds, using its parallel chemistry workflows which promise delivery within 3–4 weeks and claim a feasibility rate exceeding 80%. The result is a set of readily available tools for labs seeking to shortcut hit discovery.
Andrey Tolmachov, CEO and Founder of Enamine, highlighted the synergy in a press release:
Our partnership with Recursion allows us to tap into their cutting-edge technology to rapidly uncover novel compounds with high potential in various research fields rapidly. We are ready to launch this new generation of compound libraries to support our customers’ hit-finding campaigns…
This collaboration reflects a broader trend in drug discovery. Instead of solely relying on screening large, unfiltered collections, efforts are increasingly focused on predictive filtering. That is, using AI/ML to navigate immense chemical possibility spaces intelligently.
