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首页> 外文期刊>Journal of Chemical Education >Teaching three-dimensional structural chemistry using crystal structure databases. 3. the cambridge structural database system: Information content and access software in educational applications
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Teaching three-dimensional structural chemistry using crystal structure databases. 3. the cambridge structural database system: Information content and access software in educational applications

机译：使用晶体结构数据库教授三维结构化学。 3.剑桥结构数据库系统：教育应用中的信息内容和访问软件

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摘要

Parts 1 and 2 of this series described the educational value of experimental three-dimensional (3D) chemical structures determined by X-ray crystallography and retrieved from the crystallographic databases. In part 1, we described the information content of the Cambridge Structural Database (CSD) and discussed a representative teaching subset of ca. 500 CSD structures that have been selected for their educational relevance. In part 2, we exemplified the value of the CSD teaching subset by describing four worked examples of their use in a teaching context. Although the CSD teaching subset and its associated learning modules provide a major resource for chemical educators, there are many cases where the full CSD System, now covering more than 500,000 crystal structures, is essential to make an educational point. This is particularly true when introducing students to variance in real experimental observations, for example, where many hundreds of observations are required to generate statistically meaningful trends from the structural data or simply to introducing students to the search and manipulation of data that are commonly available in large chemical and biochemical databases. Here, we describe the complete CSD System and its associated software and highlight the extended range of discovery-based learning opportunities this affords.
机译：本系列的第1部分和第2部分描述了通过X射线晶体学确定并从晶体学数据库中检索到的实验性三维（3D）化学结构的教育价值。在第1部分中，我们描述了剑桥结构数据库（CSD）的信息内容，并讨论了ca的代表性教学子集。已选择500个具有教育意义的CSD结构。在第2部分中，我们通过描述在教学环境中使用CSD的四个工作示例来说明CSD教学子集的价值。尽管CSD的教学子集及其相关的学习模块为化学教育工作者提供了主要资源，但在许多情况下，完整的CSD系统（现已涵盖500,000多个晶体结构）对于提供教育知识至关重要。当在真实的实验观察中向学生介绍方差时，尤其是这样，例如，需要数百个观察以从结构数据中生成具有统计意义的趋势，或者只是向学生介绍搜索和操作可在其中获得的数据大型化学和生化数据库。在这里，我们描述了完整的CSD系统及其相关软件，并重点介绍了它提供的更多基于发现的学习机会。

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