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chemical structure

8 papers

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Co-occurring keywords · papers mentioning both

drug-drug interaction (2) large language model (2) graph neural network (2) molecular property prediction (2) olfactory perception (1) interpretable prediction (1) sequential pattern mining (1) pre-trained transformer (1) molecular similarity (1) interpretable rationale (1)

Papers

MAGNet: Motif-Agnostic Generation of Molecules from Scaffolds ICLR 2025 MolRAG: Unlocking the Power of Large Language Models for Molecular Property Prediction ACL 2025 Two Steps from Hell: Compositionality on Chemical LMs EMNLP 2025 Can Transformers Smell Like Humans? NeurIPS 2024 EquiPocket: an E(3)-Equivariant Geometric Graph Neural Network for Ligand Binding Site Prediction ICML 2024 Graph-based Molecular Representation Learning IJCAI 2023 BERTChem-DDI : Improved Drug-Drug Interaction Prediction from text using Chemical Structure Information AACL 2020 CASTER: Predicting Drug Interactions with Chemical Substructure Representation AAAI 2020