Enamine screening collection
StarDrop users who have licensed the Surflex eSim3D module can freely download prepared virtual screening collections for use in StarDrop. Enamine’s commercially available screening…
In this example, scaffold hopping with library enumeration, we are going to use the library enumeration feature in StarDrop’s Nova module, in combination with R-group analysis.
We will generate a virtual library representing a potential new lead series, based on a previous series. We will explore the impact of a change of scaffold and variations in a side chain, while retaining the substituents at two key positions.
Would you like to try it yourself?
To try this example yourself, download the example project file and follow the step-by-step guidelines.
Please note that the Scaffold Hopping with Library Enumeration tutorial explores core features of StarDrop and the Nova module. If you don’t have access to this module yet but would like to explore its capabilities, please email us at info@optibrium.com.
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