Scaffold-based and reaction-based library enumeration in StarDrop
Tune in to this hands-on session to learn how to generate virtual libraries in StarDrop to explore the chemistry space around your hit or lead compound.
What’s covered in this training?
- We will explore two approaches from StarDrop’s Nova module: scaffold- and reaction-based library enumeration.
- Using scaffold-based enumeration, we will scaffold-hop, creating a series of compounds with a new core and re-using the R-groups from an existing series.
- We will go on to create a second library by applying tractable, robust chemical reactions to readily available building blocks in StarDrop’s flexible and user-friendly reaction-based enumeration environment. Generated libraries can be further evaluated using all the property prediction, multi-parameter optimisation and visualisation capabilities of StarDrop to prioritise compounds for synthesis and testing.
If you have any questions specific to your area of interest, please also bring these along; our team will be more than happy to discuss them during the session.
This training is open to all, whether current customers or not. However, to receive the data files and follow along with what’s going on yourself, you must already have the relevant software and modules.
Optibrium reserves the right to cancel any registrations without notice.
Meet the team
Our team of in-house scientists is based in the UK and US.
Tamsin Mansley, PhD
President, Optibrium Inc. and Global Head of Application Science
Location: USA
Daniel Barr
Senior Application Scientist
Location: USA
Alessia Centi
Application Support Science Team Lead
Location: UK
Barry Wong
Application Support Scientist
Location: UK