Home / Department / Seminars & Events / Robert Paton

Robert Paton

Robert Paton

Seminar
Wed, Nov. 13, 2019, 4:30pm
Edward C Taylor Auditorium, Frick B02
Host: Brad Carrow

Computer Assisted Synthesis – New Tools to Guide Reaction Optimization and Discovery

This talk will describe our recent efforts in developing computational tools and models to assist in synthesis planning, reaction optimization, and selectivity prediction. Collectively, these goals embody our vision of computer-assisted synthesis. We have developed an approach rooted in mechanistic exploration and understanding that recruits data science to address these challenges, and several recent applications will be discussed.