Aug 24, 2022 · We propose a novel model, Molecular Substructure-Aware Network (MSAN), to effectively predict potential DDIs from molecular structures of drug pairs.

Oct 17, 2022 · In this work, we propose a novel model, Molecular Substructure-Aware Network (MSAN), to effectively predict potential DDIs from molecular ...

In this study, we presented a substructure-aware graph neural network, a message passing neural network equipped with a novel substructure attention mechanism.

Mar 1, 2024 · Predicting potential drug-drug interactions (DDIs) can effectively mitigate unforeseen interactions throughout the entire drug development ...

Oct 22, 2024 · Predicting potential drug-drug interactions (DDIs) can effectively mitigate unforeseen interactions throughout the entire drug development ...

MSAN. Molecular Substructure-Aware Network for Drug-Drug Interaction Prediction. Requirements. torch==1.9.1; torch-geometric==2.0.4. Run. Run by command line ...

We propose a DDI prediction method integrating multiple channels of information. Proposed method able to be applied both in warm-start and cold-start settings.

Jul 6, 2024 · The experimental results show that RFSA-DDI can effectively capture valuable structural information of drugs more accurately for DDI prediction, ...

Jul 13, 2022 · Learning size-adaptive molecular substructures for explainable drug-drug interaction prediction by substructure-aware graph neural network.

Jan 23, 2024 · Learning size-adaptive molecular substructures for explainable drug–drug interaction prediction by substructure-aware graph neural network.