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Paper · arXiv

RXNRECer Enables Fine-grained Enzymatic Function Annotation through Active Learning and Protein Language Models

A key challenge in enzyme annotation is identifying the biochemical reactions catalyzed by proteins. Most existing methods rely on Enzyme Commission (EC) numbers as intermediaries: they first predict an EC number and then retrieve the associated reactions. This indirect strategy introduces ambiguity due to the complex many-to-many mappings among proteins, EC numbers, and reactions, and is further complicated by frequent updates to EC numbers and inconsistencies across databases. To address these challenges, we present RXNRECer, a transformer-based ensemble framework that directly predicts enzyme-catalyzed reactions without relying on EC numbers. It integrates protein language modeling and...

AuthorsZhenkun Shi, Jun Zhu, Dehang Wang et al.
Primary categorycs.LG
Published13 March 2026
Last updated at source13 March 2026
cs.LGq-bio.QM
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