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.