InChILayersExplorer – A Spreadsheet to teach and learn the structure of an InChI

InChI Layers Explorer

There are two versions of this Excel spreadsheet that will break an InChI into its layers to facilitate its conceptualisation and its teaching. It considers the six layers currently detailed in the InChI TechnicalFAQ,  https://www.inchi-trust.org/wp/technical-faq-2/#4.3.

The spreadsheet also facilitates looking up an InChI by entering the molecule name or its SMILES representation.

A lesson plan using the InChI Layers Explorer can be found in activity 2.4.1 of the 2019 Cheminformatics OLCC module on line notation.

The InChI Layers Exployer was developed by Jordi Cuadros of Universitat Ramon Llull.

 

 

Information
Content Type OER
Author Jordi Cuadros
Download Publication Files https://www.fireanatomy.com/inchi-trust/wp-content/uploads/2019/07/InChILayersExplorer_polymer_isotopologues.xlsx
Content Link https://www.fireanatomy.com/inchi-trust/wp-content/uploads/2019/07/InChILayersExplorer_polymer_isotopologues.xlsx
License CC BY 3.0 Unported
Content Status publish
Number of Comments No Comments
Date Published July 27, 2024
Content Tags Cheminformatics, Classroom Material, InChI Overview, Spreadsheet