TIGER: Text-Informed Generalized Enzyme-Reaction Retrieval
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Abstract (arXiv)
Enzyme-reaction retrieval is a fundamental problem in computational biology, underpinning enzyme characterization, reaction mechanism elucidation, and the rational design of metabolic pathways and biocatalysts. As a bidirectional task, it entails both enzyme-to-reaction and reaction-to-enzyme mapping. However, existing approaches suffer from poor generalization across tasks and distributions, with performance highly sensitive to dataset splits and substantial asymmetry between retrieval directions. To address these challenges, we present TIGER, a Text-Informed Generalized Enzyme-Reaction Retrieval framework that leverages protein-to-text generation models to distill textual semantic knowledge from enzyme sequences, providing a generalized representation that bridges enzymes and biochemical reactions. To ensure the quality and reliability of textual semantics, we design a Dynamic Gating Network that adaptively fuses text-derived knowledge with sequence features, enabling more consistent and informative enzyme representations, while a Structure-Shared Feature Projector aligns enzyme and reaction representations within a unified latent space. Extensive experiments demonstrate that, under bidirectional retrieval supervision, TIGER significantly outperforms state-of-the-art baselines across diverse distributions and exhibits strong robustness and transferability across tasks.
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References · 12
- 2021Learning Transferable Visual Models From Natural Language Supervisioncited by 33,744
- 2020Domain-Specific Language Model Pretraining for Biomedical Natural Language Processingcited by 1,009
- 2021Frame Averaging for Invariant and Equivariant Network Designcited by 168
- 2023BioT5: Enriching Cross-modal Integration in Biology with Chemical Knowledge and Natural Language Associationscited by 100
- 2020Molecule Attention Transformercited by 92
- 2023ProtST: Multi-Modality Learning of Protein Sequences and Biomedical Textscited by 78
- 2023A Text-guided Protein Design Frameworkcited by 64
- 2023Prot2Text: Multimodal Protein's Function Generation with GNNs and Transformerscited by 32
- 2024ProtT3: Protein-to-Text Generation for Text-based Protein Understandingcited by 25
- 2024Estimating the Hallucination Rate of Generative AIcited by 20
- 2024ReactZyme: A Benchmark for Enzyme-Reaction Predictioncited by 13
- 2024ProtCLIP: Function-Informed Protein Multi-Modal Learningcited by 6
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