Search Results for author: Djork-Arne Clevert

Found 1 papers, 0 papers with code

Models Matter: The Impact of Single-Step Retrosynthesis on Synthesis Planning

no code implementations10 Aug 2023 Paula Torren-Peraire, Alan Kai Hassen, Samuel Genheden, Jonas Verhoeven, Djork-Arne Clevert, Mike Preuss, Igor Tetko

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.

Retrosynthesis Single-step retrosynthesis

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