A Toolbox for Automated QSAR Model Selection and Validation
Downloads of Version 1.0
- Binary packages
- Source code
|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.
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.
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.
For feedback, suggestions or questions contact Marcel Schumann.