A novel graph convolutional neural network for predicting interaction sites on protein kinase inhibitors in phosphorylation. [PDF]
Wang F, Chen YT, Yang JM, Akutsu T.
europepmc +1 more source
We present CatTransVAE, a catalyst‐specialized chemical language model (CLM) built on a transformer variational autoencoder (VAE), developed through pretraining on general compounds followed by fine‐tuning on diverse catalyst databases. A template‐guided generation framework is introduced to enable controlled catalyst design under structural ...
Apakorn Kengkanna, Masahito Ohue
wiley +1 more source
A dynamic graph convolutional neural network framework reveals new insights into connectome dysfunctions in ADHD. [PDF]
Zhao K +5 more
europepmc +1 more source
Crystal Structure Prediction of Inorganic Materials: A Benchmark and Modern Evaluation
Predicting a crystal’s structure from composition alone is a long‐standing challenge in materials discovery. The CSP180 benchmark of 180 inorganic crystals evaluates thirteen crystal structure prediction algorithms requiring no density functional theory (DFT) against DFT‐based baselines across twelve metrics.
Lai Wei +9 more
wiley +1 more source
EEG-based emotion recognition using graph convolutional neural network with dual attention mechanism. [PDF]
Chen W, Liao Y, Dai R, Dong Y, Huang L.
europepmc +1 more source
Accurate emotion recognition using Bayesian model based EEG sources as dynamic graph convolutional neural network nodes. [PDF]
Asadzadeh S +3 more
europepmc +1 more source
This article reviews the current state of bioinspired soft robotics. The article discusses soft actuators, soft sensors, materials selection, and control methods used in bioinspired soft robotics. It also highlights the challenges and future prospects of this field.
Abhirup Sarker +2 more
wiley +1 more source
Attention aware edge-node exchange graph neural network
An attention aware edge-node exchange graph neural network (AENN) model was proposed, which used edge-node switched convolutional graph neural network method for graph encoding in a graph structured data representation framework for semi supervised ...
Ruiqin WANG +4 more
doaj
Identifying ADHD-Related Abnormal Functional Connectivity with a Graph Convolutional Neural Network. [PDF]
Hu Y +7 more
europepmc +1 more source
Heart disease detection based on internet of things data using linear quadratic discriminant analysis and a deep graph convolutional neural network. [PDF]
Saikumar K +3 more
europepmc +1 more source

