During the webinar, our speaker, Paul Hawkins, OpenEye’s Product Evangelist, will provide an overview of OpenEye’s class-leading shape similarity tool, ROCS:
- Core ROCS algorithm, prospective applications in a variety of project settings
- Applications of the central concepts in ROCS to new problem types
Main key takeaways:
- An examination of the importance of conformation in shape similarity
- How shape-based virtual screening can be efficiently scaled to process multi-billion-member molecule collections.
Shape is a fundamental molecular property that can be applied to a number of important problems in drug discovery including molecular alignment, ultra-large-scale virtual screening, and property prediction.
You will also have the opportunity to ask questions and engage in discussions with our team.