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Found 4 papers, 2 papers with code
Models Matter: The Impact of Single-Step Retrosynthesis on Synthesis Planning
Furthermore, we show that the commonly used single-step retrosynthesis benchmark dataset USPTO-50k is insufficient as this evaluation task does not represent model performance and scalability on larger and more diverse datasets.
Mind the Retrosynthesis Gap: Bridging the divide between Single-step and Multi-step Retrosynthesis Prediction
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.
Improving Few- and Zero-Shot Reaction Template Prediction Using Modern Hopfield Networks
Finding synthesis routes for molecules of interest is essential in the discovery of new drugs and materials.
Ranked #26 on
Single-step retrosynthesis
on USPTO-50k
Modern Hopfield Networks for Few- and Zero-Shot Reaction Template Prediction
Finding synthesis routes for molecules of interest is an essential step in the discovery of new drugs and materials.
