AI Drug Discovery
Know which series is worth the synthesis budget - before you spend it
USD 30–85K per system · 4–8 weeks · Free-energy ranking and design recommendations
At a glance
- Price band
- USD 30–85K per system
- Duration
- 4–8 weeks
- Deliverable
- Free-energy ranking
- Data package
- Full trajectories
Indicative list price. Final scope and price confirmed in the proposal.
Talk to a scientistThe problem
Why teams buy this
Docking scores are poor predictors of real affinity. Medicinal chemistry programmes routinely commit months of synthesis to a series that was never going to hold in the binding pocket - and the data that would have shown it was affordable all along.
What you get
Deliverables, not activity
- A simulation report with trajectory and interaction-stability analysis
- Relative binding free-energy ranking across your series
- Interaction and stability maps
- Structure-based design recommendations for the next chemistry cycle
- The trajectory data package, for your own reanalysis
Who this is for
Structure-based design teams · medicinal chemistry programmes at series-selection · biotech deciding where to spend synthesis budget · academic laboratories needing mechanism evidence for publication or patent.
Proof
Representative result
Four chemical series ranked by free-energy calculation, redirecting a medicinal chemistry programme away from a series that later proved unstable in the pocket.
Representative programme - illustrates typical scope and outcomes; not an individual client account. Client-specific references are available on request under confidentiality.
Enterprise AI for Life Sciences
Ready to Advance Your Drug Discovery Pipeline?
Partner with Prognica Labs to leverage enterprise-grade AI, computational chemistry, and molecular simulation technologies that accelerate discovery, reduce development risk, and improve R&D productivity.
From biotech startups to global pharmaceutical organizations, we help research teams make faster, evidence-driven decisions across every stage of early drug discovery.