Automatic QSAR model building and validation

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.

Depending on which version of StarDrop you have the results may appear slightly differently, due to changes in the underlying knowledgebase. Therefore, if you would like a different version of the PDF instructions to match your StarDrop version, please contact support@optibrium.com.

Would you like to try it yourself?

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

Download project file
Download step-by-step guide

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 at info@optibrium.com.

More resources