33 citations · 39 across the 3 of their papers we have counts for
3 papers
Atom-anchored LLMs speak Chemistry: A Retrosynthesis Demonstration
Alan Kai Hassen, Andrius Bernatavicius, Antonius P. A. Janssen +3
Applications of machine learning in chemistry are often limited by the scarcity and expense of labeled data, restricting traditional supervised methods. In this work, we introduce…
Models Matter: The Impact of Single-Step Retrosynthesis on Synthesis Planning
Paula Torren-Peraire, Alan Kai Hassen, Samuel Genheden +4
Retrosynthesis consists of breaking down a chemical compound recursively step-by-step into molecular precursors until a set of commercially available molecules is found with the go…
Mind the Retrosynthesis Gap: Bridging the divide between Single-step and Multi-step Retrosynthesis Prediction
Alan Kai Hassen, Paula Torren-Peraire, Samuel Genheden +3
Retrosynthesis is the task of breaking down a chemical compound recursively step-by-step into molecular precursors until a set of commercially available molecules is found. Consequ…