Matched Series for SAR Analysis

This worked example considers a publically available set of PPARγ pIC50 data which contains a number of chemical series. Matched Series Analysis is used to identify when a substitution from one series has a high likelihood of improving the binding of another series at PPARγ.

This approach is then further applied to help analyse the project’s SAR to generate hypotheses regarding binding modes and identify possible anomalous measurements for further investigation.

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.

Files you’ll need to follow along yourself

Project file
Step-by-step guide

Please note that the tutorial uses StarDrop’s Nova module. If you don’t have access to StarDrop or Nova and would like to arrange a triral, please email us at info@optibrium.com