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-Core 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.
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