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.”
When?
Wednesday, May 31, 2023 · 4:00 p.m.
Amsterdam
Duration: 1 hour
Price
Free
Language
English
Who can attend
Everyone
Dial-in available? (listen only)
Not available.
Agenda
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
Eva Nittinger is associate principal scientist in computational chemistry in Respiratory and Immunology, AstraZeneca R&D. She started her studies as a biochemist. During her PhD in the algorithmic molecular design group of Prof. Rarey at the...
leads the Deep Chemistry team in Discovery Sciences, AstraZeneca R&D. He received his PhD in theoretical chemistry from Lund University in 2012, having studied computational methods to estimate ligand-binding affinities. He continued with postdocs...
Customer Engagement Manager - Life Sciences Professional Services Group
Aurora is a technology and life sciences professional with over 12 years of experience in data management and analysis software solutions for pharma and biotech industries. A well-rounded scientist with a Ph.D. in organic chemistry focused on...