AI-Driven · CRO Services

Discovery
Chemistry Services

Accelerate your discovery programs with AI-driven route design and expert medicinal chemistry — from hit identification and small-molecule NCE route design through optimized leads ready for development. The engine proposes; a PhD synthetic chemist verifies, scales and costs every route.

Discovery Services Portfolio

Medicinal chemistry & custom synthesis

Grounded by a curated retrosynthesis engine — Neural MCTS on the USPTO corpus, an FDA drug-synthesis corpus and citable textbook retrieval — and verified by PhD synthetic chemists.

Medicinal Chemistry

Support for hit-to-lead and lead optimization.

  • Analog design and synthesis
  • Bioisostere exploration
  • SAR interpretation support
  • Property optimization (ADMET)

Hit-to-Lead Optimization

Rapid synthesis of focused libraries to define SAR.

  • Focused library synthesis
  • Potency optimization
  • Selectivity profiling
  • Metabolic-stability improvements

SAR Optimization Campaigns

Systematic exploration with rapid analog synthesis.

  • Position-by-position SAR
  • Parallel synthesis
  • Multi-parameter optimization
  • Regular data review & design iteration

NCE Route Design

Top-route portfolios for novel chemical entities.

  • Scaffold / fragment analysis
  • Synthetic-feasibility review
  • Known or novel targets
  • Cited, hazard-aware routes

Custom Synthesis

Bespoke synthesis of challenging molecules.

  • Novel scaffold synthesis
  • Reference standards
  • Stable-isotope-labeled compounds
  • Multi-mg to gram quantities

Fragment-Based Design

Fragment elaboration and merging strategies.

  • Fragment-to-lead chemistry
  • Linker-based merging
  • Exit-vector exploration
  • IP-space exploration
Grounded & Verified

Fast candidate routes, expert-checked

The engine proposes candidate routes in seconds; a PhD synthetic chemist then corrects, scale-matches and costs every one. Citations are checked against Crossref / PubMed / USPTO and CAS confirmed on PubChem — where conditions are uncertain, we leave them blank rather than wrong.

You receive a decision-ready deliverable you can fund, run and stand behind.

Representative NCE scaffold

Representative small-molecule NCE

Let's design your next route.

Bring us a target — known or novel. We return scale-matched, costed, verified routes your team can act on.

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