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QuEasy

A Toolbox for Automated QSAR Model Selection and Validation


Downloads of Version 1.0

Data sets

Target Description input data pipeline
ACE Angiotensin-Converting enzymne inhibition data set as supplied by Sutherland et al.. tar.gz tar.gz
BZR Benzodiazepine data set as supplied by Sutherland et al.. tar.gz tar.gz
CarbAn2 Carbonic anhydrase2 inhibition data set from bindingdb.org. tar.gz tar.gz
COX2 Cyclooxygenase 2 inhibition data set as supplied by Sutherland et al.. tar.gz tar.gz
DHFR Dihydrofolate reductase inhibition data set as supplied by Sutherland et al.. tar.gz tar.gz
HSP90 Heat shock protein 90 inhibition data set obtained from bindingdb.org. tar.gz tar.gz

For all data sets, descriptors calculated by the use of the program Dragon are provided as part of the input data archives listed above.

You can either use the supplied input data to create your own QSAR pipelines, or you can load and analyze our finished pipelines provided here.
In the latter case, just directly open the tar.gz-archive with QuEasyViz or extract the archive and open the conf-file with QuEasyViz.

Documentation

Click here to open the documentation for QuEasyViz in a new window.
This documentation is also supplied with the program and can be accessed offline at any time from within QuEasyViz.

License

QuEasy is an open source project published under the GNU General Public License (GPL), either version 3 of the License, or (at your option) any later version.

Contact

For feedback, suggestions or questions contact Marcel Schumann.