ResearchBenchmarksEquilibrated reaction prediction on mech-USPTO-31k 22 (random)Equilibrated reaction prediction on mech-USPTO-31k 22 (random)Follow96.48Elem Step Acc. Top-1T595.689695.894896.196.3052Dec 5, 2025Evaluation resultsMethodMethodLinksElem Step Acc. Top-1Elem Step Acc. Top-3Pathway Acc. Bw=1Pathway Acc. Bw=3T5Backbone=T5, Tokenizer...Backbone=T5, Tokenizer=MechSMILES2025.1296.4897.3876.0388.81T5Backbone=T5, Tokenizer...Backbone=T5, Tokenizer=MechSMILES2025.1296.4797.3575.2287.37T5Backbone=T5, Tokenizer...Backbone=T5, Tokenizer=MechSMILES2025.1295.7296.5673.3386.54