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Found 3 papers, 1 papers with code
VDDB: a comprehensive resource and machine learning platform for antiviral drug discovery
Virus infection is one of the major diseases that seriously threaten human health.
HiGNN: Hierarchical Informative Graph Neural Networks for Molecular Property Prediction Equipped with Feature-Wise Attention
Elucidating and accurately predicting the druggability and bioactivities of molecules plays a pivotal role in drug design and discovery and remains an open challenge.
FP-GNN: a versatile deep learning architecture for enhanced molecular property prediction
In addition, we analyzed the influence of different molecular fingerprints, and the effects of molecular graphs and molecular fingerprints on the performance of the FP-GNN model.
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