CSD-Materials enables scientists to use the wealth of structural information in the CSD to bring a structural perspective to solid form selection. Capabilities of CSD-Materials include everything in CSD-System as well as:


  • 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.

« Return to search results