arXiv — cs.AI preprintsInternational9 October 2026
Elucidating the Space of Enzymatic Reaction: A Unified Benchmark and Pretrained Model
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arXiv:2610.11694v1 Announce Type: cross Abstract: Existing reaction models primarily learn molecular transformations, whereas enzy- matic reactions depend jointly on molecular structure and catalytic function. We formulate this problem as learning an enzymatic reaction space linking reactants, products, and Enzyme Commission (EC) annotations. To characterize this space, we introduce VenusRX-Bench, a unified benchmark for forward reaction prediction, single-step retrosynthesis, and EC-number prediction. VenusRX-Bench integrates reactions from multiple biochemical databases with standardized cur
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