Prioritize what Matters. De-risk SAR with Atomic Precision.

We help discovery teams optimize analogue series using explainable, physics-based prioritization. Optimus applies Molecular Dynamics and Quantitative Complexity Theory (QCT) to identify which compounds — and which atomic modifications — actually drive biological activity.

What We Offer

Analogue Prioritization

Rank analogues by their functional complexity, not just structure or synthesizability. We spotlight which molecules have the best chance to advance — before they’re made.

SAR-Guided Optimization

Stop guessing. Our platform pinpoints high-impact atoms (complexity hotspots), helping you explore chemical space efficiently and avoid activity loss.

Rapid Complexity Profiling

Quickly evaluate 100s of analogues. QCT is training-free and data-agnostic — it works across novel targets without any historical SAR data.

Who Uses Our Products and Services

• Pharmaceutical R&D teams running lead optimization campaigns

• Medicinal chemistry CROs conducting analogue design and synthesis

• AI-driven biotech startups focusing on molecular design or active learning

• Early-stage drug discovery companies needing prioritization support

• Academic groups studying SAR, molecular dynamics, or atomic-level profiling

• Organizations working in data-sparse therapeutic areas (rare diseases, novel targets)

Find out more.