Cambridge Structural Database (CSD)

The CSD is the world's largest curated database of real-world, small molecule organic and metal-organic crystal structures. All data are reviewed and annotated by expert scientists to enable easy retrieval and subsequent reuse in a range of contexts. The CSD can be used to guide molecular and materials design by comparing features of new molecules and materials against what has been experimentally observed to identify areas of risk or strategies for optimisation. The CSD can be searched via the PSDI Cross Data Search service allowing results to be combined with other data sources to generate novel insights to guide the design of new molecules and materials.