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Thursday, October 3 • 11:20am - 11:40am
AI in Drug Discovery Today- Applications of Artificial Intelligence in Drug Discovery – Separating Hype From Utility

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Applications of Artificial Intelligence in Drug Discovery – Separating Hype From Utility
Artificial intelligence and machine learning are now impacting many aspects of the drug discovery process. One factor driving the rapid adoption of machine learning in drug discovery is the availability of software tools for building machine learning models. Software that was once only available to machine learning researchers is now freely available for download. Organizations such as Facebook, Google, and Amazon are now releasing Open Source software tools for machine learning that can be applied to problems in numerous domains including drug discovery. While these new tools offer an array of opportunities, we must be adequately prepared to use them effectively. Researchers need to have a sufficient command of the underlying science to develop representations that can be processed by machine learning algorithms. Scientists applying machine learning in drug discovery must have sufficient computational skills to be able to adopt and apply these techniques. Finally, researchers must have an understanding of statistics that will enable them to assess and improve the quality of their models.

Ultimately. the success of any predictive model comes down to three factors; data, representation, and algorithms. The data being generated must be relevant, and the experimental error must be well characterized. In order to build a predictive model, we must be able to create a representation of the data, typically as some sort of vector, that can be processed by a machine learning algorithm. The algorithm can then identify relationships between the data and some observable (e.g. biological activity) and can subsequently be used to make predictions on new data.

avatar for Pat Walters

Pat Walters

VP Computation, Relay Therapeutics
Pat Walters heads the Computation & Informatics group at Relay Therapeutics in Cambridge, MA. His group focuses on novel applications of computational methods that integrate computer simulations and experimental data to provide insights that drive drug discovery programs. Prior to... Read More →

avatar for Yohann Potier, Ph.D.

Yohann Potier, Ph.D.

Director of Data Science & Informatics, Voyager Therapeutics
Yohann was recently named Director of Data Science & Informatics at Voyager Therapeutics, after almost six years at the Novartis Institute for Biomedical Research. He studied Biotechnology and Informatics in France followed by a Ph.D. in Computational Chemistry at the University of... Read More →

Thursday October 3, 2019 11:20am - 11:40am EDT
Theater Ballroom (5th Fl) - Courtyard Boston Downtown 275 Tremont Street, Boston, MA 02116

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