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AI, Machine Learning, and Computational Tools for Greener Chemistry Outcomes

Valued Contributor III
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Organizers: Jun Li, Senior Principal Scientist, Bristol Myers Squibb; Jared Piper, Director, Pfizer

Artificial Intelligence. What was once solely the subject of science fiction movies and novels, is rapidly starting to become a more prominent tool and asset in today’s scientific community. Over the past few years AI, machine learning, predictive analytics, and computational tools and modeling have advanced to the point where it has become fairly common to use these emerging technologies to understand and optimize reaction mechanisms and predict reactivity.

This why we are pleased to invite you to our session at the 2019 GC&E/GCS-9 Conference titled “AI, Machine Learning, and Computational Tools.” This session will focus on the use of computers and how they can facilitate a deeper understanding of reaction mechanisms, predict reactivity and reaction outcomes, as well as the use of In Silico tools to help design greener processes. All of these efforts have the potential to not only reduce the number of experiments in the lab but in some cases eliminate unnecessary and costly experiments altogether.

Attendees can expect to learn about the most recent advances in this emerging and important field of organic chemistry and examine actual instances where AI, computational methods, and/or machine learning either completely or partially solved a real world chemistry problem. This session will feature presentations from some of the leading AI experts in academia for the chemical sciences, like Klavs Jensen from MIT, Steven Wheeler of The University of Georgia and Benjamin Shields from Princeton. Representatives from leading pharmaceutical organizations—Pfizer, Bristol-Myers Squibb and Amgen—will also highlight the latest in available computational, AI and machine learning tools and how can they can be implemented to solve complex problems currently plaguing the chemistry community.

We hope to see you there!


This session will take place at the 23rd Annual Green Chemistry & Engineering Conference/9th Annual International Conference on Green & Sustainable Chemistry on Tuesday, June 11 from 3:15 PM to 6:00 PM at the Lake Fairfax, Hyatt Regency Reston, VA.