Reaction-based library enumeration webinar
In this webinar, we demonstrated how to generate virtual libraries by applying tractable, robust chemical reactions to readily available building blocks in a highly flexible and user-friendly environment.
Nova uses two different methods to enumerate virtual libraries, namely reaction-based and scaffold-based enumeration.
With reaction-based library enumeration, select from approximately 100 pre-defined common reactions in the Reaction Manager or sketch and map your own and add them to centrally managed or personal reaction libraries.
Define criteria for selection of reagents within available StarDrop data sets and specify the regioselectivity of enumeration for reagents with multiple reactive sites.
Select products in the enumerated library biased for a property or score with a higher chance of success for your project objectives.
In scaffold-based enumeration, draw the scaffold upon which your library will be based and select which atoms, fragments and functional groups can vary.
For more information and to try these methods yourself, visit our reaction-based library enumeration and scaffold-based library enumeration tutorials.
More library enumeration resources
Introduction to library enumeration
Explore the virtual library design capability as part of StarDrop’s Nova module, providing flexible and easy scaffold-based enumeration of a virtual library.…
Reaction-based library enumeration
In this example, we are going to use the reaction-based library enumeration feature in StarDrop’s Nova module to generate a library of virtual compounds. This will be based on pre-defined sets of reagents that will be used to generate products using well-known reactions.
