THE "GOOGLE MAP" OF MOLECULES,

PREDICTIVE POWER AT YOUR FINGERTIPS

GDBspace / a SPACE PHARMACEUTICALS company

Our approach and deliverables

How does chemical-space based drug discovery work?

  • Reported 3D structures of targets alone or existing drug-target interactions
  • Experimental data (e.g., co-crystallization)
Cycle
  • Choice of models whether data is abundant (e.g generative models) or scarce (e.g Genetic algorithm)
  • Similarity models (e.g., bioactivity prediction, on-/off- target prediction)
  • Predictive models (e.g. for properties)
  • Physics-based models (e.g., docking)
Cycle.png
  • Molecular descriptors (e.g., shape, pharmacophores)
  • Experimental data

    (e.g., bioactivity, toxicity)

Our Workflow