Isosteric Substitution Enables Rational Design of Two‐Dimensional Energetic Crystals
Isosteric substitution transforms a classical nitro–amine motif into two‐dimensional aminofurazans with performance beyond TATB. ABSTRACT Two‐dimensional (2D) energetic crystals dissipate mechanical insult via interlayer slip, yet their molecular design space remains narrow.
Linyuan Wen +6 more
wiley +1 more source
Leveraging knowledge graphs and large language models for integrating molecular variants and clinical insights in COVID-19 research. [PDF]
Yang J +10 more
europepmc +1 more source
Cross‐Modal Denoising and Integration of Spatial Multi‐Omics Data with CANDIES
In this paper, we introduce CANDIES, which leverages a conditional diffusion model and contrastive learning to effectively denoise and integrate spatial multi‐omics data. We conduct extensive evaluations on diverse synthetic and real datasets, CANDIES shows superior performance on various downstream tasks, including denoising, spatial domain ...
Ye Liu +5 more
wiley +1 more source
A Unified Framework for Alzheimer's Disease Knowledge Graphs: Architectures, Principles, and Clinical Translation. [PDF]
Dobreva J +4 more
europepmc +1 more source
ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray +3 more
wiley +1 more source
KGG: a fully automated workflow for creating disease-specific knowledge graphs. [PDF]
Karki R +7 more
europepmc +1 more source
A graphene oxide/collagen scaffold is developed for chronic massive rotator cuff tear repair. The scaffold improves compressive stability, supports reparative mesenchymal differentiation, and modulates the immune microenvironment. In chronic MRCT models, it reduces muscle degeneration, enhances tendon–bone regeneration, and improves functional recovery,
Renwen Wan +24 more
wiley +1 more source
A multi-view validation framework for LLM-generated knowledge graphs of chronic kidney disease. [PDF]
Kumar A, Singh D, Cypko M, Amft O.
europepmc +1 more source
A change language for ontologies and knowledge graphs. [PDF]
Hegde H +11 more
europepmc +1 more source
Clicking one dot opens a whole new world: a qualitative study on using knowledge graphs in surgical nursing education. [PDF]
Liu F, Shen M, Shen Y, Wan P, He T.
europepmc +1 more source

