TY - JOUR
T1 - IUPAC International Chemical Identifier (InChI)-related education and training materials through InChI Open Education Resource (OER)
AU - Cornell, Andrew P.
AU - Kim, Sunghwan
AU - Cuadros, Jordi
AU - Bucholtz, Ehren C.
AU - Pence, Harry E.
AU - Potenzone, Rudy
AU - Belford, Robert E.
N1 - Publisher Copyright:
© 2024 Walter de Gruyter GmbH. All rights reserved.
PY - 2024/3
Y1 - 2024/3
N2 - 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.
AB - 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.
KW - International Chemical Identifier (InChI)
KW - IUPAC
KW - Laboratory Chemical Safety Sheet (LCSS)
KW - Open Education Resource (OER)
KW - PubChem
UR - http://www.scopus.com/inward/record.url?scp=85181503230&partnerID=8YFLogxK
U2 - 10.1515/cti-2023-0009
DO - 10.1515/cti-2023-0009
M3 - Article
AN - SCOPUS:85181503230
SN - 2569-3263
VL - 6
SP - 77
EP - 91
JO - Chemistry Teacher International
JF - Chemistry Teacher International
IS - 1
ER -