R-group analysis
This example looks at R-group analysis of chemical series to identify key functionalities which influence potency.
See worked example for the Nova library enumeration, the example will outline steps for generating a library of virtual compounds.
The library enumeration feature in StarDrop’s Nova module, in combination with R-group analysis 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.
This example looks at R-group analysis of chemical series to identify key functionalities which influence potency.
Explore the virtual library design capability as part of StarDrop’s Nova module, providing flexible and easy scaffold-based enumeration of a virtual library.…
This worked example explores ways to assess and design compounds in 3D using the SeeSAR Pose module.