IUPAC International Chemical Identifier (InChI)-related education and training materials through InChI Open Education Resource (OER)
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 che...
| Main Authors: | , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
De Gruyter
2024-01-01
|
| Series: | Chemistry Teacher International |
| Subjects: | |
| Online Access: | https://doi.org/10.1515/cti-2023-0009 |
| _version_ | 1797208513706983424 |
|---|---|
| author | Cornell Andrew P. Kim Sunghwan Cuadros Jordi Bucholtz Ehren C. Pence Harry E. Potenzone Rudy Belford Robert E. |
| author_facet | Cornell Andrew P. Kim Sunghwan Cuadros Jordi Bucholtz Ehren C. Pence Harry E. Potenzone Rudy Belford Robert E. |
| author_sort | Cornell Andrew P. |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-04-24T09:40:00Z |
| format | Article |
| id | doaj.art-8c004e18677549c3a1bfea73a1d12ee5 |
| institution | Directory Open Access Journal |
| issn | 2569-3263 |
| language | English |
| last_indexed | 2024-04-24T09:40:00Z |
| publishDate | 2024-01-01 |
| publisher | De Gruyter |
| record_format | Article |
| series | Chemistry Teacher International |
| spelling | doaj.art-8c004e18677549c3a1bfea73a1d12ee52024-04-15T07:41:19ZengDe GruyterChemistry Teacher International2569-32632024-01-0161779110.1515/cti-2023-0009IUPAC International Chemical Identifier (InChI)-related education and training materials through InChI Open Education Resource (OER)Cornell Andrew P.0Kim Sunghwan1Cuadros Jordi2Bucholtz Ehren C.3Pence Harry E.4Potenzone Rudy5Belford Robert E.6Department of Chemistry, University of Arkansas at Little Rock, Little Rock, AR72204, USANational Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD20894, USADepartment of Quantitative Methods, IQS Universitat Ramon Llull, Barcelona, 08017, SpainDepartment of Basic Sciences, University of Health Sciences and Pharmacy in St. Louis, St. Louis, MO63110, USADepartment of Chemistry and Biochemistry, State University of New York at Oneonta, Oneonta, NY, 13820, USAInChI Trust, CambridgeCB2 1EZ, UKDepartment of Chemistry, University of Arkansas at Little Rock, Little Rock, AR72204, USAThe 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.https://doi.org/10.1515/cti-2023-0009iupacinternational chemical identifier (inchi)open education resource (oer)pubchemlaboratory chemical safety sheet (lcss) |
| spellingShingle | Cornell Andrew P. Kim Sunghwan Cuadros Jordi Bucholtz Ehren C. Pence Harry E. Potenzone Rudy Belford Robert E. IUPAC International Chemical Identifier (InChI)-related education and training materials through InChI Open Education Resource (OER) Chemistry Teacher International iupac international chemical identifier (inchi) open education resource (oer) pubchem laboratory chemical safety sheet (lcss) |
| title | IUPAC International Chemical Identifier (InChI)-related education and training materials through InChI Open Education Resource (OER) |
| title_full | IUPAC International Chemical Identifier (InChI)-related education and training materials through InChI Open Education Resource (OER) |
| title_fullStr | IUPAC International Chemical Identifier (InChI)-related education and training materials through InChI Open Education Resource (OER) |
| title_full_unstemmed | IUPAC International Chemical Identifier (InChI)-related education and training materials through InChI Open Education Resource (OER) |
| title_short | IUPAC International Chemical Identifier (InChI)-related education and training materials through InChI Open Education Resource (OER) |
| title_sort | iupac international chemical identifier inchi related education and training materials through inchi open education resource oer |
| topic | iupac international chemical identifier (inchi) open education resource (oer) pubchem laboratory chemical safety sheet (lcss) |
| url | https://doi.org/10.1515/cti-2023-0009 |
| work_keys_str_mv | AT cornellandrewp iupacinternationalchemicalidentifierinchirelatededucationandtrainingmaterialsthroughinchiopeneducationresourceoer AT kimsunghwan iupacinternationalchemicalidentifierinchirelatededucationandtrainingmaterialsthroughinchiopeneducationresourceoer AT cuadrosjordi iupacinternationalchemicalidentifierinchirelatededucationandtrainingmaterialsthroughinchiopeneducationresourceoer AT bucholtzehrenc iupacinternationalchemicalidentifierinchirelatededucationandtrainingmaterialsthroughinchiopeneducationresourceoer AT penceharrye iupacinternationalchemicalidentifierinchirelatededucationandtrainingmaterialsthroughinchiopeneducationresourceoer AT potenzonerudy iupacinternationalchemicalidentifierinchirelatededucationandtrainingmaterialsthroughinchiopeneducationresourceoer AT belfordroberte iupacinternationalchemicalidentifierinchirelatededucationandtrainingmaterialsthroughinchiopeneducationresourceoer |