Beyond substructure search

is not:


  • A novel way to look at chemical structures
  • A source for new insights and inspiration
  • A replacement of expert medicinal chemist
  • An AI or ML model that requires a lot data to operate
  • Flexible search method
  • Captures greater diversity in one search
  • Reveals unexpected connectivity
  • Returns only actionable, available options
  • Rigid search method
  • Captures substitution around fixed core
  • Needs multiple substructures to capture greater diversity

Beyond Substructure Search .

Substructure Search .

  • Uncover hidden relationships between chemical structures
  • Capture new drug design trends immediately
  • Replace custom synthesis with commercial options
  • Plan reliably with accurate commercial data
  • No need for protein structure or docking method
  • No need for prior SAR information
  • No need for training data set
  • Receive data as a list or umap
  • Format our reports for your visualization tool
  • Integrate with your prioritization engine - docking, ADME, etc.
Get New Insights
Protect Your IP
Seamless Data

Key Aspects of Our Technology.

Applications .

Our technology and services are applicable throughout the drug discovery process
increace diversity of exit vectors
library screening
Lead optimization
find additional SAR in the same screening deck
enhance impact of each SAR cycle with greater diversity of building blocks
connect virtual hits to commercial screening decks
find relevant SAR among different screening collections
increace diversity of core structeres
improve strength of patent claims by covering greater diversity of commercial fragments
reduce the need for custom synthesis
find non-obvious fragments to inspire new SAR directions
library desing
  • Improve strengths of patent claims
  • Find freedom-to-operate space
  • Uncover new ideas for library design and SAR
  • Connect DEL hits to HTS and FBS screening hits
Extract more value from screening collections
  • Reduce reliance on lengthy custom syntheses
  • Enjoy accurate quotes for lead time
Expedite go/no-go decisions
  • Uncover new ideas for library design and SAR
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