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

Seminar series
Organic Colloquium
When
Thu, Oct 10 4:00pm
Where
CS 50
Speaker Prof. Robert Paton
Colorado State University
Department of Chemistry
Description

Abstract:

 

This seminar 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 established an approach rooted in mechanistic exploration and understanding that recruits data science to address these challenges, and several recent applications will be discussed.

 

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