Scaffold Hopping with Library Enumeration

May 18, 2022

Video Summary

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.

Try it yourself

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

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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With its comprehensive suite of integrated software, StarDrop™ delivers best-in-class in silico technologies within a highly visual and user-friendly interface. StarDrop™ enables a seamless flow from the latest data through predictive modelling to decision-making regarding the next round of synthesis and research. This improves the speed, efficiency, and productivity of the drug optimisation and discovery process.