IUPAC International Chemical Identifier (InChI)-related education and training materials through InChI Open Education Resource (OER)

A. P. Cornell, Sunghwan Kim, Jordi Cuadros, E. Bucholtz, Harry E. Pence, Rudy Potenzone, Robert E. Belford
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Abstract

Abstract The IUPAC International Chemical Identifier (InChI) is a structure-based chemical identifier that encodes various aspects of a chemical structure into a hierarchically layered line notation. Because InChI is non-proprietary, open-source, and freely available to everyone, it is adopted in popular chemical information resources and software programs. This paper describes the InChI Open Education Resource (OER) (https://www.inchi-trust.org/oer/), designed to provide educators and other interested parties with resources, training material, and information related to InChI. Currently, the OER contains over 100 materials collected from various sources and provides users with search, filtering, and sorting functionalities to locate specific records. New relevant materials can be suggested by anyone, allowing the scientific community to share and find InChI-related resources. This paper will show how to use the InChI OER tag taxonomy to filter content and demonstrate two resources within the InChI OER; the ChemNames2LCSS Google Sheet and the InChILayersExplorer, an Excel spreadsheet that breaks an InChI into its layers. While the InChI OER is of value to a broader chemistry community, this paper seeks to reach out to chemical educators and provide them with an understanding of InChI and its role in the practice of science.
通过 InChI 开放教育资源 (OER) 提供与 IUPAC 国际化学标识符 (InChI) 相关的教育和培训材料
摘要 国际理论化学和应用化学联合会(IUPAC)的国际化学标识符(InChI)是一种基于结构的化学标识符,它将化学结构的各个方面编码成层次分明的线条符号。由于 InChI 是非专有的、开源的,而且人人都可免费使用,因此它被广泛应用于化学信息资源和软件程序中。本文介绍了 InChI 开放教育资源 (OER) (https://www.inchi-trust.org/oer/),旨在为教育工作者和其他相关人员提供与 InChI 相关的资源、培训材料和信息。目前,OER 包含从各种来源收集的 100 多份资料,并为用户提供搜索、过滤和排序功能,以查找特定记录。任何人都可以推荐新的相关资料,从而使科学界能够共享和查找与 InChI 相关的资源。本文将展示如何使用 InChI OER 标签分类法来过滤内容,并演示 InChI OER 中的两个资源:ChemNames2LCSS 谷歌工作表和 InChILayersExplorer,后者是一个 Excel 电子表格,可将 InChI 分解为不同的层。InChI 开放式教育资源对更广泛的化学界具有重要价值,而本文则旨在帮助化学教育工作者了解 InChI 及其在科学实践中的作用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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