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molecular fingerprint

4 papers

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Co-occurring keywords · papers mentioning both

molecular property prediction (3) deep learning benchmark (1) feature mapping method (1) tanimoto kernel (1) circular fingerprint (1) tanimoto coefficient (1) graph neural network (1) large language model (1) kernel methods (1) molecular representation (1)

Papers

Enhancing LLM-Based Molecular Captioning with Molecular Fingerprints IJCNLP 2025 Tanimoto Random Features for Scalable Molecular Machine Learning NeurIPS 2023 Understanding the Limitations of Deep Models for Molecular property prediction: Insights and Solutions NeurIPS 2023 Convolutional Networks on Graphs for Learning Molecular Fingerprints NeurIPS 2015