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This is the second webinar in the four-part series titled “Dear data: what compound to make next? - From SAR databases to AI/ML models”

Are you interested to know how AstraZeneca develops and employs state of the art ML and AI techniques? In this webinar, the team behind Approaches using AI in medicinal chemistry, will provide an overview of both the development and use of generative models as well as reaction prediction methods. While the book chapter had a special focus on the history and development of QSAR models, the session will include the latest developments undertaken after the book chapter was written.

“The AI algorithm should both be able to predict a given outcome and additionally to make decisions about what experiment to perform next, based on the currently available knowledge.”
  • Section One [20 Min]: QSAR/De Novo Design, Dr. Nittinger.
  • Section Two [20 Min]: AI-assisted Synthesis Prediction, Dr. Genheden.
  • Section Three [15 Min]: Q&A with Audience Questions
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