CSD Enterprise at a glance

CSD-System now comprises the Cambridge Structural Database (CSD) and software that enables the unlocking of value from the experimental crystal structure data. Capabilities of CSD-System include:

  • Powerful search, advanced 2D/3D visualisation and flexible results analysis
  • Conformation analysis
  • Fragment interaction maps
  • CSD Python API (Applications Programming Interface)

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 CSD-Discovery provides insights for computational and medicinal chemists. Capabilities of CSD-Discovery include:

  • Ligand based drug design with conformer generation and ligand overlay
  • Structure based drug design including SuperStar intermolecular interaction maps and CSD Full Interaction Maps (FIMS)
  • Protein-ligand docking using GOLD
  • API functions including conformer generation

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 CSD-Materials enables scientists to bring a structural perspective to solid form selection. Capabilities of CSD-Materials include:

  • Crystal structure determination from power diffraction data using DASH
  • Polymorph risk assessment through hydrogen bond propensity, conformational and intermolecular analysis, and FIMS
  • Crystal packing studies
  • Hydrate analysis
  • Cocrystal screen design using molecular complementarity
  • API functions including crystal packing similarity, powder X-ray diffraction simulation and comparison, as well as conformer generation.

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