Hi all,
Tomorrow's group meeting will be given by Ed. The title and abstract are
included inline after this message.
Best,
Ian
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SPEAKER: Ed Pyzer-Knapp
TITLE: Machine Learning in High Throughput Virtual Screening
ABSTRACT: With the ever increasing size of data sets enabled by the
expansion of high throughput virtual screening, it becomes necessary to
find creative ways to turn data into knowledge. I will demonstrate a number
of different approaches to this challenge using methods inspired from the
field of machine learning and information theory, and talk about how to
choose the right solution for a range of problems. I will also discuss the
importance of putting predictions in the context of the predictive
variance. Finally I will demonstrate how we have integrated these
techniques into improving the generation and interrogation of molecular
libraries.
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