During the webinar, our speaker, Paul Hawkins, OpenEye’s Product Evangelist, presented 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
This session also included the following:
- 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.
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