Co-occurring keywords · papers mentioning both
graph neural network
(3)
solute-solvent interaction
(1)
pharmacokinetic property
(1)
mixup-based conditional modeling
(1)
multi-granularity refinement
(1)
relational invariant learning
(1)
drug-like molecule
(1)
molecular modeling
(1)
message passing neural network
(1)
molecular property prediction
(1)
Papers
Relational Invariant Learning for Robust Solvation Free Energy Prediction
ICML 2025
MMGNN: A Molecular Merged Graph Neural Network for Explainable Solvation Free Energy Prediction
IJCAI 2024
Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-Like Molecules
AAAI 2020