Allen Frank H, Taylor Robin
Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, UKCB2 1EZ.
Chem Commun (Camb). 2005 Nov 7(41):5135-40. doi: 10.1039/b511106b. Epub 2005 Sep 30.
There are now 355,000 published crystal structures of organic and metal-organic compounds, all of which have been acquired, validated, chemically annotated and organised for searching in the Cambridge Structural Database (CSD). The CSD is used in rational drug design and is beginning to answer important questions relevant to the formulation of pharmaceutical active ingredients. The value and credibility of this research are ultimately dependent on the accuracy and completeness of the underlying crystal-structure data.
目前已发表了35.5万个有机化合物和金属有机化合物的晶体结构，所有这些结构都已被获取、验证、进行化学注释并整理好以便在剑桥结构数据库（CSD）中进行检索。CSD用于合理药物设计，并开始回答与药物活性成分配方相关的重要问题。这项研究的价值和可信度最终取决于基础晶体结构数据的准确性和完整性。
