Scaffold Hopping with Library Enumeration

May 18, 2022

Scaffold Hopping with Library Enumeration

In this example we are going to use the library enumeration feature in StarDrop’s Nova module, in combination with R-group analysis, to generate a virtual library representing a potential new lead series. This will be based on a previous series and explore the impact of a change of scaffold and variations in a side chain, while retaining the substituents at two key positions.

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 Nova module. If you don’t have access to this module and would like to arrange a free trial license, please email us at [email protected]

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

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