Results 201 to 210 of about 148,749 (259)

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

Advanced Science, EarlyView.
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, Andrew R. Castillo, Manoj Kolel‐Veetil, Surya R. Kalidindi   +3 more
wiley   +1 more source

Structural Exploration and Expected values of Topological Indices of Square-Hexagonal <i>T</i> _2,3 Kink Chains for Advanced Engineering Applications. [PDF]

ACS Omega
Kanwal S, Khalil M, Razzaque A.
europepmc   +1 more source

On the Multiplicative Degree-Based Topological Indices of Silicon-Carbon <em>Si</em>₂<em>C</em>₃<em>-I</em>[<em>p,q</em>] and <em>Si</em>₂<em>C</em>₃<em>-II</em>[<em>p,q</em>]

, 2018
Young Chel Kwun, Abaid ur Rehman Virk, Waqas Nazeer, Shin Min Kang   +3 more
openalex   +2 more sources

Topological Properties of International Commodity Market: How Uncertainty Affects the Linkages?

Agribusiness, EarlyView.
ABSTRACT The study aims to explore the network topology of the international commodity market by examining the interconnections among 21 commodity futures across various categories, including energy, precious and industrial metals, and agriculture. We analyze the market structure of these commodity futures under both low and high uncertainty conditions
Ibrahim Yagli, Bayram Deviren
wiley   +1 more source

Predictive modeling of asthma drug properties using machine learning and topological indices in a MATLAB based QSPR study. [PDF]

Sci Rep
Bayati JHH, Mahboob A, Amin L, Rasheed MW, Alameri A.   +4 more
europepmc   +1 more source

Characterization of higher-order topological superconductors using Bott indices [PDF]

Xun-Jiang Luo, Jia-Zheng Li, Meng Xiao, Fengcheng Wu   +3 more
openalex   +1 more source

Feature Selection for Machine Learning‐Driven Accelerated Discovery and Optimization in Emerging Photovoltaics: A Review

Advanced Intelligent Discovery, EarlyView.
Feature selection combined with machine learning and high‐throughput experimentation enables efficient handling of high‐dimensional datasets in emerging photovoltaics. This approach accelerates material discovery, improves process optimization, and strengthens stability prediction, while overcoming challenges in data quality and model scalability to ...
Jiyun Zhang, Jiayi Tan, Qizhen Song, Tian Du, Jens Hauch, Christoph J. Brabec   +5 more
wiley   +1 more source

Regression analysis of topological indices for predicting efficacy of Alzheimer's drugs. [PDF]

PLoS One
Ashraf T, Idrees N, Belay MB.
europepmc   +1 more source

AI‐Enhanced Surface‐Enhanced Raman Scattering for Accurate and Sensitive Biomedical Sensing

Advanced Intelligent Discovery, EarlyView.
AI‐SERS advances spectral interpretation with greater precision and speed, enhancing molecular detection, biomedical analysis, and imaging. This review explores its essential contributions to biofluid analysis, disease identification, therapeutic agent evaluation, and high‐resolution biomedical imaging, aiding diagnostic decision‐making.
Seungki Lee, Rowoon Park, Ho Sang Jung
wiley   +1 more source

Computational insights and study of drugs for dry eye disease through QSPR and MCDM approaches using topological indices. [PDF]

Sci Rep
M C S, B K, A U, K C S.
europepmc   +1 more source