Lecture

AI in Chemistry: Hypergraph and Single-Step Ritual Synthesis

In course

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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.

Instructors (10)

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Official source

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