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chemical structure
chemical structure
6 papers
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Co-occurring keywords
drug-drug interaction
(25)
large language model
(13587)
olfactory perception
(3)
interpretable prediction
(19)
sequential pattern mining
(10)
macro f1-score
(10)
pre-trained transformer
(64)
molecular similarity
(2)
interpretable rationale
(1)
molecular structure encoding
(1)
Papers
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?
NIPS 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
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