ResearchBenchmarksElementary step prediction on PMechDB 17 (split-0)Follow0.8086Top-1 AccT50.768170.7883850.80860.828815Dec 5, 2025Evaluation ResultsMethodMethodLinksTop-1 AccTop-3 AccT5Backbone=T5, Tokenizer...Backbone=T5, Tokenizer=MechSMILES2025.120.80860.8515