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
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 and would like to arrange a free trial license, please email us at firstname.lastname@example.org
Please note that this video was recorded with an earlier version of StarDrop. Therefore, there may be small differences in appearance, however the process demonstrated is unchanged.
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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.