Lecture

AI in Chemistry: Hypergraph and Single-Step Ritual Synthesis

Description

This lecture introduces the application of AI in chemistry, focusing on hypergraphs to represent chemical reactions. It discusses a single-step ritual synthesis tech model that predicts reactants and reagents simultaneously, proposing new metrics for evaluation. The lecture also addresses challenges in retro-synthetic models evaluation, including predicting solvents and catalysts.

About this result
This page is automatically generated and may contain information that is not correct, complete, up-to-date, or relevant to your search query. The same applies to every other page on this website. Please make sure to verify the information with EPFL's official sources.