Tautomerizer – Predict tautomers based on 80+ rules
https://cactus.nci.nih.gov/tautomerizer/
Introduction from Web Service (11/24/2022):
Experimental service that allows you to test a set of tautomeric transforms with your own molecules. The predefined set of transforms comprises both the current 24 standard rules used by the chemoinformatics toolkit CACTVS and 55+ additional rules compiled in the context of the IUPAC project of Redesign of the Handling of Tautomerism in InChI V2.
Please be aware that this is a chemoinformatics tool, i.e. the tautomer generation process is strictly pattern-based and does not take energetics into account in any way. Some of the generated tautomers may therefore be of high energy and not detectable experimentally.
| Information | |
|---|---|
| Content Type | OER |
| Content Link | https://cactus.nci.nih.gov/tautomerizer/tautomerizer_intro.html |
| Content Status | publish |
| Number of Comments | No Comments |
| Date Published | |
| Content Tags | Cheminformatics, IUPAC Project, Software, Tautomers |
