Our Approach

From Target to Candidate—Faster. Smarter. Integrated.

  • Onboarding & Project Initialization
  • Create your account and get access to a secure project workspace
  • Upload project data including targets, hit compounds, TPP (Target Product Profile), and key objectives
  • Workflow Selection
  • Choose a goal-directed workflow tailored to your project needs(e.g., hit-to-lead, lead optimization)
  • Activate the workflow to initiate design and development
  • AI Model Generation
  • Extract relevant data from public sources (e.g., patents, publications, databases) or from your own assays
  • Train predictive models to guide compound design and optimization
  • Deploy models within your project workspace for use in SynDesign
  • Compound Design
  • Define your design strategy, from SAR-driven design to generative approaches
  • Design new analogs using manual input, route-based generation, or generative AI
  • Select and order materials for synthesis
  • Compound Synthesis
  • Receive and manage materials through the platform
  • Develop synthetic routes and optimize reaction conditions
  • Produce and purify intermediates and final compounds
  • Ship purified compounds to your designated testing facility
  • Biological Testing
  • Test compounds at your lab, with Synfini or with an external CRO
  • Upload assay data to the platform for integration with design and analysis tools
  • Results Analysis & Next Steps
  • Visualize and interpret results relative to your TPP and workkflow goals
  • Decide next steps: continue optimization, pivot strategy, or advance top candidates

Case Studies

Case Study #1 Hit Discovery

Goal: Identify multiple novel hit series as starting points for a drug discovery effort against a new preclinical anti-inflammatory target.

Approach: Trained a SynDesign AI model on 1,359 bioactivity data points from public sources and used combined AI models and structure-based design to identify predicted hits.

Result: Purchased and tested 50 compounds and identified 17 novel, active compounds (34% hit rate) with excellent ligand efficiencies and optimization potential.

Case Study #2 Hit to Lead Optimization

Goal: Optimize a hit against an anti-inflammatory enzyme target to improve potency, selectivity, metabolic stability and hydrophobicity for orally administered drug-like properties.

Result: All metrics achieved in four DMTA cycles which took from 0.5 weeks – 3 weeks per cycle, making a total of 48 compounds.

Case Study #3 Scaffold Hopping

Goal: An established GPCR target with a new indication required new scaffolds with better solubility and metabolic stability.

Result: In one DMTA sprint Synfini produced 54 new compounds, yielding two novel patentable scaffolds with enhanced solubility and metabolic stability while maintaining good starting point for affinity