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Why It Matters
Existing reaction models primarily learn molecular transformations, whereas enzy- matic reactions depend jointly on molecular structure and catalytic function.
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Discovered via ArXiv and published by ArXiv.
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Original description
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 curation, leakage- controlled splits, and consistent...
Discovered via ArXiv
Research papers and preprints from arXiv.
Publisher: arxiv.org
ID: http://arxiv.org/abs/2610.11694v1 · Indexed about 1 hour ago