qcGEM: A Graph‐Based Molecular Representation With Quantum Chemistry Awareness
Advanced Science, EarlyView.In this work, we introduce qcGEM, a quantum‐chemistry‐aware graph‐based embedding of molecules that incorporates physical priors into molecular representation learning. Through a specially designed model architecture to adequately process quantum chemistry information as well as three‐dimensional molecular geometry, qcGEM provides a compact, physics ...
Haoyu Wang +3 more
wiley +1 more source
HTINet2: herb-target prediction via knowledge graph embedding and residual-like graph neural network. [PDF]
Brief BioinformDuan P +10 more
europepmc +1 more source
PrOMet: Accurate and Robust Metal‐Binding Site and Type Prediction
Advanced Science, EarlyView.PrOMet is a two‐stage deep learning framework for jointly predicting metal‐binding sites and ion identities from protein structures. Surface candidate sites are first pruned, followed by refinement of the most probable sites and metal types. This hierarchical strategy enables robust and accurate metal prediction for cryo‐EM and AlphaFold‐derived ...
Gangeun Park, Chaok Seok, Hahnbeom Park
wiley +1 more source
Correction: Advancing drug-target interaction prediction: a comprehensive graph-based approach integrating knowledge graph embedding and ProtBert pretraining. [PDF]
BMC BioinformaticsDjeddi WE, Hermi K, Yahia SB, Diallo G.
europepmc +1 more source
OntoKGE: A Framework for Injecting Ontology Rules into Knowledge Graph Embedding Training
Link prediction is a key task in knowledge graphs that involves inferring new links between entities based on existing ones. Knowledge graph embedding models address this task by representing entities and relations as points in a geometric space and ...
Genevès, Pierre +2 more
core +1 more source
Advanced Science, EarlyView.Hippocampal CA2 perineuronal nets ensheathing excitatory pyramidal neurons are selectively vulnerable to repeated neonatal sevoflurane exposure. Epigenetic upregulation of MMP9 via reduced H3K27me3 disrupts PNN integrity, impairs BDNF–TrkB signaling, and causes synaptic protein loss and dendritic spine deficits, leading to persistent social and spatial
Lirong Liang +11 more
wiley +1 more source
Advanced Science, EarlyView.Integrating single‐cell and spatial transcriptomics reveals human ventricular septal defect (VSD) as a disease of microenvironmental insufficiency and structural remodeling arrest. Attenuated endothelial‐fibroblast crosstalk, alongside downregulated THBS1/TGF‐β1 and MMP2 signaling networks, impairs the endothelial‐to‐mesenchymal transition (EndoMT) and
Xiaoyuan Zhang +9 more
wiley +1 more source
A knowledge graph embedding model based attention mechanism for enhanced node information integration. [PDF]
PeerJ Comput SciLiu Y, Wang P, Yang D, Qiu N.
europepmc +1 more source
Learn to Unlearn: Meta-Learning-Based Knowledge Graph Embedding Unlearning
Knowledge graph (KG) embedding methods map entities and relations into continuous vector spaces, improving performance in tasks like link prediction and question answering.
Li, Qian +4 more
core
An Expertise Transfer Framework For Autonomous Surgical Assistance
Advanced Science, EarlyView.This study introduces an expertise transfer framework for procedure‐spanning autonomous surgical assistance. By emulating expert logic through hierarchical perception, attention modeling, and knowledge graph‐based decision‐making, the system provides near‐expert surgical view assistance.
Yuan Gao +12 more
wiley +1 more source