33 citations · 42 across the 3 of their papers we have counts for
3 papers
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…
Modern Hopfield Networks for Few- and Zero-Shot Reaction Template Prediction
Philipp Seidl, Philipp Renz, Natalia Dyubankova +6
Finding synthesis routes for molecules of interest is an essential step in the discovery of new drugs and materials. To find such routes, computer-assisted synthesis planning (CASP…