ResearchBenchmarksElementary Step Prediction on mech-USPTO-31k 22 (random)Elementary Step Prediction on mech-USPTO-31k 22 (random)Follow96.63Top-1 AccT591.798594.2142596.6399.04575Dec 5, 2025Evaluation resultsMethodMethodLinksTop-1 AccTop-3 AccT5Backbone=T5, Tokenizer...Backbone=T5, Tokenizer=MechSMILES2025.1296.6397.11