Graph Neural Networks Model Based on Atomic Hybridization for Predicting Drug Targets. [PDF]
Mohamed A, Galal N, Brooks BR, Amin M.
europepmc +1 more source
Physics‐Informed Neural Network‐Enabled Forward Prediction and Inverse Design of Ring Origami
This work presents a KRT‐PINN framework that integrates Kirchhoff rod theory with physics‐informed neural networks for the forward prediction and inverse design of ring origami consisting of closed‐loop rods. The framework predicts stable states of segmented rings with prescribed natural‐curvature profiles and determines the natural‐curvature profiles ...
Luyuan Ning +3 more
wiley +1 more source
Short-Term Aggregated Residential Load Forecasting of Low-Voltage Distribution Networks Based on Graph Neural Networks and K-Means Clustering. [PDF]
Han F, Qiao J, Yu H, Wang Z.
europepmc +1 more source
Dual‐Module Near‐Infrared Fluorophores Discovery System via Knowledge Transfer
This study presents a dual‐module deep learning system for the design of near‐infrared (NIR) fluorophores. A large molecular library is generated and analyzed, leading to the suggestions of promising candidates. The effectiveness of the system is further validated through the synthesis, characterization, and in vivo imaging, demonstrating its potential
Yixin Zhu +7 more
wiley +1 more source
General-purpose topology-aware embedding of tumor phylogenetic trees with graph neural networks. [PDF]
Bresolin P, Vandin F.
europepmc +1 more source
Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics
Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai +3 more
wiley +1 more source
Area-specific autoencoder spatiotemporal graph neural networks for opioid overdose death prediction. [PDF]
Chen X +10 more
europepmc +1 more source
LRRK2‐mutant induced pluripotent stem cells (iPSCs) were derived from a patient with Parkinson's disease (PD). Using CRISPR/Cas9–mediated gene editing, the pathogenic LRRK2 mutations were precisely corrected, and isogenic dopaminergic neural progenitor cells (DA‐NPCs) were subsequently generated.
Qing Yan +29 more
wiley +1 more source
Identifying hot-spot pathways in fishery science and technology innovation through temporal heterogeneous graph neural networks. [PDF]
Zhang F, Wang X, Hu J.
europepmc +1 more source
This work develops a soft hybrid electronic system with printed thermoresponsive hydrogel electrodes, which enables high‐fidelity neural signal acquisition and stimulation. The system precisely assesses median and ulnar nerve injuries in clinical cases, realizing accurate diagnosis of neural impairment while ensuring customized adhesion regulation ...
Bo Pang +13 more
wiley +1 more source

