Crowdsourced Evaluation of InChI-based Tautomer Identification
Challenge Time Period
November 1, 2022 – March 1, 2023
This challenge focuses on the International Chemical Identifier (InChI), which was developed and is maintained under the auspices of the International Union of Pure and Applied Chemistry (IUPAC) and the InChI Trust. The InChI Trust, the IUPAC Working Group on Tautomers, and the U.S. Food and Drug Administration (FDA) call on the scientific community dealing with chemical repositories/data sets and analytics of compounds to test the recently modified InChI algorithm, which was designed for advanced recognition of tautomers. Participants will evaluate this algorithm against real chemical samples in this Crowdsourced Evaluation of InChI-based Tautomer Identification.
Note: You can download a PDF of the Fall 2022 ACS Presentation
|Download Publication Files||https://www.inchi-trust.org/wp/wp-content/uploads/2022/11/ACS_InChI_2022_Borodina.pdf|
|Date Published||November 24, 2022|
|Content Tags||Cheminformatics, Classroom Material, Extended Tautomers, Organic|