Results 141 to 150 of about 4,722 (218)

Decoding the unseen: unsupervised anomaly detection in metal-organic frameworks for discovery beyond the norm. [PDF]

Chem Sci
Alimardani H, Abaei S, Asgari M.
europepmc   +1 more source

Dielectric‐Confinement‐Induced in‐Plane Photoelectric Anisotropy in Isotropic Quasi‐1D γ‐GaS Nanoribbon

Advanced Science, EarlyView.
We investigate the geometry‐governed optoelectronic anisotropy arising from dielectric confinement in quasi‐1D γ‐GaS nanoribbons with intrinsically isotropic atomic structures. Dielectric mismatch between the nanoribbon and its surroundings leads to a general polarization‐dependent photoresponse during near‐field scattering.
Jiawei Jing, Jiamei Chen, Xing Xin, Peisong Peng, Zhihao Wu, Weiheng Zhong, Hanyu Zhang, Wanfu Shen, Jihua Zhang, Yuwei Shan, Yuanzheng Li, Xingang Zhao, Wei Xin, Fang Wang, Weida Hu, Haiyang Xu, Yichun Liu   +16 more
wiley   +1 more source

Interpretable machine learning-driven QSAR modeling for coagulation factor X inhibitors: from molecular descriptors to predictive potency. [PDF]

J Comput Aided Mol Des
Kaya AO.
europepmc   +1 more source

Single‐Atom Intercalation‐Driven Topological Ferroelectric Metal for High‐Performance Hydrogen Evolution Reaction

Advanced Science, EarlyView.
Single‐atom Cu intercalation enables porous AB3 monolayers to integrate ferroelectricity, metallicity, topology, and hydrogen evolution catalysis in one platform. Switchable FE polarization modulates work function and hydrogen adsorption thermodynamics, providing an electrically controllable route to activate basal‐plane HER activity in topological ...
Rongxuan Lu, Jian Zhang, Jialin Gong, Wenxian Li, Gang Zhang   +4 more
wiley   +1 more source

Machine Learning-Based Prediction of Polymer Properties Using Structure-Property Relationship Modeling. [PDF]

Polymers (Basel)
Rahman MH, Arifuzzaman M, Haque ME, Naidu RS, Hoque ME, Martuza MA.   +5 more
europepmc   +1 more source

High Fracture Toughness of 1D Copper‐Based MOP Electrode Enables Fast‐Charging Lithium‐Ion Batteries

Advanced Science, EarlyView.
Traditional electrode materials suffer from particle cracking and rapid capacity fade during fast charging, largely originating from their low fracture toughness. This work introduces a one‐dimensional Cu‐based metal–organic polymer, in which strong π‐d conjugation and π–π stacking endow the framework with high fracture toughness, simultaneously ...
Mingli Li, Zhenzhen Wu, Pan Yang, Di Zhao, Mengyang Dong, Muhammad Tayyab Ahsan, Lei Zhang, Shanqing Zhang, Yun Wang   +8 more
wiley   +1 more source

Topology‐Aware Deep Learning on Higher‐Order Structures for Drug Response Prediction

Advanced Science, EarlyView.
We present TopDr, a topology‐aware deep learning framework that encodes both drugs and cell lines as multiscale simplicial complexes, capturing interactions at the 0‐, 1‐, and 2‐simplex levels. By jointly integrating local higher‐order neighborhoods and global topological structures, TopDr generates enriched representations for sensitivity prediction ...
Cong Shen, Guancen Lin, Chuan‐Shen Hu, Yong Wang   +3 more
wiley   +1 more source

Semantic similarity across languages reflects neurocognitive dimensions shaped by climate. [PDF]

Nat Commun
Fu Z, Chu Y, Zhang T, Li Y, Wang X, Bi Y.   +5 more
europepmc   +1 more source

How Advanced Artificial Intelligence Technologies Shape Drug–Drug and Drug–Target Interaction Modeling

Advanced Science, EarlyView.
This review explores the convergence of artificial intelligence technologies in modeling drug–drug and drug–target interactions. By evaluating advanced feature engineering, architectural innovations, and learning paradigms reveals shared evolutionary trends and critical challenges, such as cold‐start settings and shortcut learning.
Xin Sun, Tong Wang
wiley   +1 more source

Topological data analysis in single cell biology. [PDF]

Front Immunol
Hernández-Lemus E.
europepmc   +1 more source