Fashions Subject: the have an effect on of single-step retrosynthesis on synthesis making plans

fashions-subject:-the-have-an-effect-on-of-single-step-retrosynthesis-on-synthesis-making-plans

Fashions Subject: the have an effect on of single-step retrosynthesis on synthesis making plans

Digital Discovery, 2024, Advance Article
DOI: 10.1039/D3DD00252G, Paper
Open Access Open Access
Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Paula Torren-Peraire, Alan Kai Hassen, Samuel Genheden, Jonas Verhoeven, Djork-Arné Clevert, Mike Preuss, Igor V. Tetko
Synthesis planning relies on retrosynthesis models, yet this relationship is under-analyzed. We investigate the effect of contemporary single-step models trained on public and proprietary reaction data to analyze the synthesis routes produced.
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