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Graph Neural Networks

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Neuro-Modulation Analysis Based on Muscle Synergy Graph Neural Network in Human Locomotion.

IEEE transactions on neural systems and rehabilitation engineering : a publication of the IEEE Engineering in Medicine and Biology Society 40184290
The coordination of muscles in human locomotion is commonly understood as the integration of motor modules known as muscle synergies. Recent research has delved into the adaptation of muscle synergies during the acquisition of new motor skills. Howev...
Adult Algorithms Biomechanical Phenomena Electromyography Female Graph Neural Networks Humans Locomotion Lower Extremity Male Muscle, Skeletal Neural Networks, Computer Walking Young Adult
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Interpretable high-order knowledge graph neural network for predicting synthetic lethality in human cancers.

Briefings in bioinformatics 40194555
Synthetic lethality (SL) is a promising gene interaction for cancer therapy. Recent SL prediction methods integrate knowledge graphs (KGs) into graph neural networks (GNNs) and employ attention mechanisms to extract local subgraphs as explanations fo...
Algorithms Computational Biology Graph Neural Networks Humans Neoplasms Neural Networks, Computer Synthetic Lethal Mutations
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Fusion of multi-scale feature extraction and adaptive multi-channel graph neural network for 12-lead ECG classification.

Computer methods and programs in biomedicine 40184850
BACKGROUND AND OBJECTIVE: The 12-lead electrocardiography (ECG) is a widely used diagnostic method in clinical practice for cardiovascular diseases. The potential correlation between interlead signals is an important reference for clinical diagnosis ...
Algorithms Cardiovascular Diseases Deep Learning Electrocardiography Graph Neural Networks Humans Neural Networks, Computer ROC Curve Signal Processing, Computer-Assisted
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Drug-Target Affinity Prediction Based on Topological Enhanced Graph Neural Networks.

Journal of chemical information and modeling 40159647
Graph neural networks (GNNs) have achieved remarkable success in drug-target affinity (DTA) analysis, reducing the cost of drug development. Unlike traditional one-dimensional (1D) sequence-based methods, GNNs leverage graph structures to capture ric...
Drug Discovery Graph Neural Networks Neural Networks, Computer Pharmaceutical Preparations Proteins
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DeePMD-GNN: A DeePMD-kit Plugin for External Graph Neural Network Potentials.

Journal of chemical information and modeling 40150804
Machine learning potentials (MLPs) have revolutionized molecular simulation by providing efficient and accurate models for predicting atomic interactions. MLPs continue to advance and have had profound impact in applications that include drug discove...
Graph Neural Networks Molecular Dynamics Simulation Neural Networks, Computer Quantum Theory Software
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Mathematical expression exploration with graph representation and generative graph neural network.

Neural networks : the official journal of the International Neural Network Society 40147161
Symbolic Regression (SR) methods in tree representations have exhibited commendable outcomes across Genetic Programming (GP) and deep learning search paradigms. Nonetheless, the tree representation of mathematical expressions occasionally embodies re...
Algorithms Deep Learning Graph Neural Networks Humans Neural Networks, Computer
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Motif and supernode-enhanced gated graph neural networks for session-based recommendation.

Neural networks : the official journal of the International Neural Network Society 40147160
Session-based recommendation systems aim to predict users' next interactions based on short-lived, anonymous sessions, a challenging yet vital task due to the sparsity and dynamic nature of user behavior. Existing Graph Neural Network (GNN)-based met...
Algorithms Graph Neural Networks Humans Neural Networks, Computer
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GraphDeep-hERG: Graph Neural Network PharmacoAnalytics for Assessing hERG-Related Cardiotoxicity.

Pharmaceutical research 40140128
PURPOSE: The human Ether-a-go-go Related-Gene (hERG) encodes rectifying potassium channels that play a significant role during action potential repolarization of cardiomyocytes. Blockade of the hERG channel by off-target drugs can lead to long QT syn...
Action Potentials Algorithms Cardiotoxicity Computer Simulation Deep Learning ERG1 Potassium Channel Ether-A-Go-Go Potassium Channels Graph Neural Networks Humans Machine Learning Neural Networks, Computer Potassium Channel Blockers
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ENsiRNA: A Multimodality Method for siRNA-mRNA and Modified siRNA Efficacy Prediction Based on Geometric Graph Neural Network.

Journal of molecular biology 40194620
With the rise of small interfering RNA (siRNA) as a therapeutic tool, effective siRNA design is crucial. Current methods often emphasize sequence-related features, overlooking structural information. To address this, we introduce ENsiRNA, a multimoda...
Computational Biology Graph Neural Networks Humans Neural Networks, Computer RNA, Messenger RNA, Small Interfering Thermodynamics
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HEPOM: Using Graph Neural Networks for the Accelerated Predictions of Hydrolysis Free Energies in Different pH Conditions.

Journal of chemical information and modeling 40183476
Hydrolysis is a fundamental family of chemical reactions where water facilitates the cleavage of bonds. The process is ubiquitous in biological and chemical systems, owing to water's remarkable versatility as a solvent. However, accurately predicting...
Graph Neural Networks Hydrogen-Ion Concentration Hydrolysis Neural Networks, Computer Thermodynamics
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