Automatic generation of new compound ideas

During this example we will consider three compounds from a lead series which we would like to try to evolve into a candidate. The compound has a good profile of ADME properties but insufficient inhibition of the target, the Serotonin transporter. In this example we will use StarDrop’s Nova module to generate new ideas for compounds to improve the potency while maintaining the balance of other properties.

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 Nova and ADME QSAR modules. If you don’t have access to these modules and would like to arrange a trial, please email us at info@optibrium.com

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