Tutorials

Automatic QSAR Model Building and Validation

Oct 16, 2013

Automatic QSAR Model Building and Validation

Oct 16, 2013

This example explores the application of the Auto-Modeller module to build a QSAR model of potency against the Muscurinic Acetylcholine M5 receptor, based on public domain Ki data. The resulting model is applied to novel compound to predict their properties and visualise the SAR.

To try this example yourself, download the example project file and follow the step-by-step guidelines in this PDF.

Please note that the tutorial explores core features of StarDrop and the Auto-Modeller module. If you don’t have access to this module and would like to arrange a free trial license, please email us.

You can also watch a video of this tutorial here and others that might interest you can be found in the tutorials section of our video archive

Please note that this video was recorded with StarDrop v5.5, so there may be small differences in appearance, however the process demonstrated is unchanged.