نسخة أولية وصول مفتوح
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 …