2 papers
cs.LG2025
Trustworthy Retrosynthesis: Eliminating Hallucinations with a Diverse Ensemble of Reaction Scorers
Michal Sadowski, Tadija Radusinović, Maria Wyrzykowska +7
Retrosynthesis is one of the domains transformed by the rise of generative models, and it is one where the problem of nonsensical or erroneous outputs (hallucinations) is particula…
cs.LG2023
Molecule-Edit Templates for Efficient and Accurate Retrosynthesis Prediction
Mikołaj Sacha, Michał Sadowski, Piotr Kozakowski +2
Retrosynthesis involves determining a sequence of reactions to synthesize complex molecules from simpler precursors. As this poses a challenge in organic chemistry, machine learnin…