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 is combined with StarDrop’s r-group clipping tool which enables you to quickly transform your in-house or commercially available chemical building blocks into their corresponding substituents and immediately use them in your library enumeration.
As demonstrated in this short video, this allows drug discovery teams to rapidly explore new chemistry ideas.
In this study, we identified a new antimalarial with an unusual structure – the only compound in the competition to be proven active, opening up new chemistry for exploration.
In this webinar, we demonstrate intuitive workflows for 3D ligand-based drug design
This worked example uses Inspyra™ to interactively explore optimisation strategies to achieve a selective inhibitor of DPP-4 with appropriate physicochemical properties.
