Improving Enzyme Prediction with Chemical Reaction Equations by Hypergraph-Enhanced Knowledge Graph Embeddings
arXiv:2601.05330v1 Announce Type: new Abstract: Predicting enzyme-substrate interactions has long been a fundamental problem in biochemistry and metabolic engineering. While existing methods could leverage databases of expert-curated enzyme-substrate pairs for models to learn from known pair interactions, the databases are often sparse, i.e., there are only limited and incomplete examples of such pairs, and also labor-intensive to maintain. This lack of sufficient training data significantly hinders the ability of traditional enzyme prediction models to generalize to unseen interactions. […]