Cambridge Crystallographic Data Centre

剑桥晶体数据中心（CCDC）位于英国剑桥大学，自1965年起从事晶体数据的收集、整理与数字化工作，是一家致力于推进化学与晶体学发展的非营利机构。其核心资源是剑桥结构数据库（CSD），这是全球最大的小分子有机及金属有机化合物晶体结构数字化数据库，收录了基于X射线和中子衍射实验的逾百万个经严格评审的晶体数据。除数据服务外，CCDC还提供功能完整的应用软件，支持化合物查询、分子结构信息统计、三维图像演示等多种分析方法，广泛应用于药物发现、材料开发及科研教育等领域。The Cambridge Crystallographic Data Centre (CCDC) is situated at the University of Cambridge, UK. As a non-profit institution committed to advancing chemistry and crystallography, it has been engaged in the collection, curation and digitization of crystallographic data since 1965. Its core resource is the Cambridge Structural Database (CSD), the world's largest digitized database of crystal structures of small-molecule organic and organometallic compounds. It houses over one million rigorously peer-reviewed crystallographic data derived from X-ray and neutron diffraction experiments. In addition to data services, CCDC also provides fully functional application software that supports a range of analytical methods including compound searching, molecular structure information statistics and 3D visualization, which is widely applied in drug discovery, materials development, scientific research and education and other relevant fields.

搜集汇总

背景与挑战

背景概述

剑桥晶体数据中心（CCDC）是一家非营利机构，运营着全球最大的小分子有机及金属有机化合物晶体结构数据库（CSD）。该中心还提供相关软件、研究支持和服务，广泛应用于药物发现、材料科学及教育等领域。