AI for Reaction Outcome and Synthetic Route Prediction

Bringing scientists, engineers, researchers and industry together

AI for Reaction Outcome and Synthetic Route Prediction

9th-11th March 2020

DeVere, Tortworth Hotel, Gloucestershire

Joint Dial-a-Molecule, Directed Assembly and AI3SD Networks event

This was a joint meeting between the Dial-a-Molecule, Directed Assembly and AI3SD (Artificial Intelligence and Augmented Intelligence for Automated Investigations for Scientific Discovery) Networks. The meeting examined the state of the art and future opportunities in the use of Artificial Intelligence to predict the outcome of unknown chemical reactions, and consequently design optimum synthetic routes to desired molecules.  A wide variety of AI approaches were illustrated including expert systems, statistical methods, mechanism based and Machine Learning.
A full report will appear here shortly.