A GNN-based solution for identifying potential HIV inhibitors through molecular graph analysis.

Small molecules are low molecular weight molecules that include lipids, monosaccharides, second messengers, other natural products and metabolites, as well as drugs and other xenobiotics.

Abstract: This paper proposes a novel deep learning enabled beamforming design for ultra-dense wireless networks by integrating prior knowledge and graph neural network (GNN), termed model-based GNN.

However, this area remains largely unexplored. This work proposes an Invariant Subgraph GNN (IS-GNN) to learn general brain network representations for classifying various brain disorders in ...

An artificial intelligence model has created a new protein that researchers say would have taken 500 million years to evolve in nature — if nature were capable of producing such a thing.

MolR uses graph neural networks (GNNs) as the molecule encoder, and preserves the equivalence of molecules w.r.t. chemical reactions in the embedding space. Specifically, MolR forces the sum of the ...

ZJU-Hangzhou Global Scientific and Technological Innovation Canter, Zhejiang University, Hangzhou, Zhejiang 311215, China College of Chemical and Biological Engineering, Zhejiang University, Hangzhou, ...

The drug restored the cholinergic system and improved memory,” added Moreno. Rafael Rodríguez believes that “this molecule could become a drug to treat the symptoms of dementia, at least during the ...

40 years ago today, William J. Schroeder became the first artificial heart recipient to be discharged from a hospital. He was a hero to ...

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