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Pan Tan

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#artificial intelligence Preprint Oct 2026

Elucidating the Space of Enzymatic Reaction: A Unified Benchmark and Pretrained Model

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 spac...

Yu-Tong Hu, Tian-Ming Huang, Yan-Bo Zhao et al. · 0 citations

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