Skip to content
Contains relevant project files to publicly available tautomer database "Tautobase"
Branch: master
Clone or download

Latest commit

Fetching latest commit…
Cannot retrieve the latest commit at this time.

Files

Permalink
Type Name Latest commit message Commit time
Failed to load latest commit information.
README.md
Tautobase.dwar
Tautobase_SMIRKS.txt
Tautomer_References.pdf

README.md

Tautobase

This repository contains relevant project files of publicly available tautomer database "Tautobase". Each tautomer pair in the database has matching atom positions. The first version of the database contains 1680 unique tautomer pairs and available both as a DataWarrior file (.dwar) and a text file containing SMIRKS transformations along with the non-structural information.

The information digitalized in Tautobase is mainly sourced from the tautomer codex authored by P.W. Kenny and P.J. Taylor, “The Prediction of Tautomer Preference in Aqueous Solution”. (https://doi.org/10.6084/m9.figshare.8966276.v1)

Tautobase (.dwar file and SMIRKS transformations) can be downloaded from https://github.com/WahlOya/Tautobase.git

List of references, mentioned in the column "Reference" in the .dwar file can also be downloaded from this repository.

If you use Tautobase in your study, for citation please use: DOI

For questions/comments, please contact the corresponding author of the article.

You can’t perform that action at this time.