33 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
2 papers
cs.CR2024★ 5 cited
Publishing Neural Networks in Drug Discovery Might Compromise Training Data Privacy
Fabian P. Krüger, Johan Östman, Lewis Mervin +2
This study investigates the risks of exposing confidential chemical structures when machine learning models trained on these structures are made publicly available. We use membersh…
cs.AI2023★ 33 cited
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…