Results 131 to 140 of about 225,085 (221)

Structure‐Aware Machine Learning for Polymers: A Hierarchical Graph Network for Predicting Properties From Statistical Ensembles

Macromolecular Rapid Communications, EarlyView.
This work presents a structure‐aware graph convolutional network that models polymers as statistical ensembles to predict macroscopic properties. By combining topologically realistic graphs generated via kinetic Monte Carlo simulations with explicit molar mass distributions, the framework achieves high accuracy in classifying architectures and ...
Julian Kimmig, Yannik Köster, Timo Koswig, Punith Raviswamy, Subhash V. S. Ganti, Stefan Zechel, Christopher Kuenneth, Ulrich S. Schubert   +7 more
wiley   +1 more source

A social-architecture perspective on gut microbiota dynamics and host physiology. [PDF]

Front Immunol
Ni Z, Zhou W, Gao Y.
europepmc   +1 more source

Challenges and Opportunities in Machine Learning for Light‐Emitting Polymers

Macromolecular Rapid Communications, EarlyView.
The performance of light‐emitting polymers emerges from coupled effects of chemical diversity, morphology, and exciton dynamics across multiple length scales. This Perspective reviews recent design strategies and experimental challenges, and discusses how machine learning can unify descriptors, data, and modeling approaches to efficiently navigate ...
Tian Tian, Yinyin Bao
wiley   +1 more source

Image-Processing-Driven Modeling and Reconstruction of Traditional Patterns via Dual-Channel Detection and B-Spline Analysis. [PDF]

J Imaging
He X, Chen S, Kuang Y, Yang X.
europepmc   +1 more source

Accelerating Multiparametric Quantitative MRI Using Self‐Supervised Scan‐Specific Implicit Neural Representation With Model Reinforcement

Magnetic Resonance in Medicine, EarlyView.
ABSTRACT Purpose To develop a self‐supervised scan‐specific deep learning framework for reconstructing accelerated multiparametric quantitative MRI (qMRI). Methods We propose REFINE‐MORE (REference‐Free Implicit NEural representation with MOdel REinforcement), combining an implicit neural representation (INR) architecture with a model reinforcement ...
Ruimin Feng, Albert Jang, Xingxin He, Fang Liu   +3 more
wiley   +1 more source

Sustainable Cyanobacterial Bloom Control: Inhibitory Effects of Nano Zero-Valent Iron on <i>Microcystis aeruginosa</i> and Metabolic Disruption. [PDF]

Toxics
Zeng G, Ma Z, Lei X, Xiao Y, Sun D, Huang Y.   +5 more
europepmc   +1 more source

Ellipsoid‐Based Interval‐Type Uncertainty Model Updating Based on Riemannian Manifold and Gaussian Process Model

International Journal of Mechanical System Dynamics, EarlyView.
ABSTRACT Modern engineering systems require advanced uncertainty‐aware model updating methods that address parameter correlations beyond conventional interval analysis. This paper proposes a novel framework integrating Riemannian manifold theory with Gaussian Process Regression (GPR) for systems governed by Symmetric Positive‐Definite (SPD) matrix ...
Yanhe Tao, Qintao Guo, Jin Zhou, Cheng Yi   +3 more
wiley   +1 more source

Artificial Neural Network Elucidates the Role of Transport Proteins in Rhodopseudomonas palustris CGA009 During Lignin Breakdown Product Catabolism. [PDF]

Metabolites
Chowdhury NB, Kathol M, Shahreen N, Saha R.   +3 more
europepmc   +1 more source

Computational Evaluation of Statin Analogs Targeting HMG‐CoA Reductase for Coronary Artery Disease Treatment

ChemistryOpen, EarlyView.
Molecular dynamics analysis of novel statin analogs shows that binding induces superior stabilization of HMG‐CoA reductase. As shown by the solvent‐accessible surface area profile, ligand‐induced rigidity offers a new, effective strategy for drug design. Cardiovascular diseases remain a leading cause of global mortality.
Yoshua B. Mtulo, Geradius Deogratias, James E. Mgaya, Andrew S. Paluch, Lucas Paul   +4 more
wiley   +1 more source

Curcumin attenuates LPS-induced inflammation in RAW 264.7 cells: A multifaceted study integrating network pharmacology, molecular docking, molecular dynamics simulation, and experimental validation. [PDF]

PLoS One
Gong X, Xue D, Meng H, Xie B, Zhao L, Zang C, Kong J.   +6 more
europepmc   +1 more source