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molecular similarity

2 papers

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Co-occurring keywords · papers mentioning both

interpretable rationale (1) large language model (1) patentability constraint (1) lead molecule (1) chemical property optimization (1) chemical structure (1) molecular property prediction (1) knowledge reasoning (1) retrieval-augmented generation (1) generative model (1)

Papers

MolRAG: Unlocking the Power of Large Language Models for Molecular Property Prediction ACL 2025 Molecular Optimization Model with Patentability Constraint AAAI 2024