Interpretable candidate drug prioritization and explanation framework across-medical knowledge graphs based on graph embedding models: A case study of type 2 diabetes. [PDF]
PLoS OneZhou Z, Yang S.
europepmc +1 more source
Organic Materials of Tomorrow: Horizons of Artificial Intelligence
Advanced Materials, EarlyView.This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena +3 more
wiley +1 more source
Data‐Driven Materials Science for Energy‐Sustainable Applications
Advanced Materials, EarlyView.Data‐driven approaches powered by artificial intelligence are transforming materials discovery for energy sustainability. This review examines how auto‐generated high‐quality materials databases and domain‐specific language models accelerate research in photovoltaics, thermoelectrics, batteries and magnetic materials. Applications involve extraction of
Jacqueline M. Cole
wiley +1 more source
EmbedTAD Using Graph Embedding and Unsupervised Learning to Identify TADs from High-Resolution Hi-C Data. [PDF]
Commun BiolChowdhury HMAM, Oluwadare O.
europepmc +1 more source
Closed‐Loop Solid‐State Synthesis Planning for Materials Discovery With Large Language Models
Advanced Materials, EarlyView.Leveraging literature data, we build a large‐language‐model‐driven workflow that extracts synthesis steps from 4407 papers, retrieves similar precedents, and generates candidate solid‐state synthesis recipes. The system benchmarks against ground‐truth and then operates in a closed loop with experiments to synthesize oxy‐selenide electrolyte materials ...
Dong Won Jeon +9 more
wiley +1 more source
Drug repositioning model based on knowledge graph embedding. [PDF]
Sci RepHe S, Zhao X.
europepmc +1 more source
Advanced Materials, EarlyView.Specific ortho‐halogenation transforms crystalline TADF emitters into efficient organic scintillators. Fluorine reduces the effective singlet–triplet separation, while chlorine combines near‐degenerate excited states with vibrational modulation of spin–orbit coupling.
Illia E. Serdiuk +8 more
wiley +1 more source
Anomaly Detection with Graph Embedding in Bioinformatics: A Survey. [PDF]
Curr GenomicsWang T, Liu ZP.
europepmc +1 more source
Advanced Materials, EarlyView.We mechanically program liquid crystal elastomer coatings as a stimuli‐responsive and digitally addressable platform for refreshable tactile displays; we validate the perceptual performance of our dynamic device matches conventional static tactile media.
Tom Bruining +9 more
wiley +1 more source
A Novel Framework for Enhancing Decision-Making in Autonomous Cyber Defense Through Graph Embedding. [PDF]
Entropy (Basel)Wang Z, Wang Y, Xiong X, Ren Q, Huang J.
europepmc +1 more source