Results 41 to 50 of about 49,616 (309)

The Future of Foundation Machine Learning Potentials and DFT in Homogeneous Catalysis: Competition or Synergy?

Chemistry – A European Journal, EarlyView.
Machine‐learning potentials are increasingly taking on the exploratory tasks of homogeneous catalysis, enabling rapid conformer sampling and reaction‐space mapping. However, when selectivity depends on subtle electronic effects, electronic‐structure methods remain essential.
Maxime Ferrer, Julen Munarriz, Thijs Stuyver, Ruben Laplaza   +3 more
wiley   +1 more source

Enhanced oracle bone corrosion detection using attention-guided YOLO with ghost convolution

Discover Artificial Intelligence
Oracle bone inscriptions (OBIs), as the important records of early Chinese characters, possess profound cultural and historical significance. However, These fragments are susceptible to further damage due to corrosion.
Feng Gao, Ziheng Yang, Qiyu Liu, Zhan Zhang, Bang Li, Han Zhang   +5 more
doaj   +1 more source

Artificial intelligence in enzyme catalysis: Emerging trends and applications in biocatalyst engineering

The Canadian Journal of Chemical Engineering, EarlyView.
Schematic representation of artificial intelligence approaches in enzyme catalysis, integrating bibliometric analysis, emerging research trends, and machine learning tools for enzyme design, prediction, and industrial biocatalytic applications. Abstract This study systematically explores the applications of artificial intelligence (AI) in enzyme ...
Misael Bessa Sales, Francisco Izaias da Silva Aires, Paulo Gonçalves de Sousa Junior, Calebe Da Rocha Silva, Emanuel Lino Rodrigues, Maria Cristiane Martins de Souza, José C. S. dos Santos   +6 more
wiley   +1 more source

Partial identification with categorical data and nonignorable missing outcomes

Canadian Journal of Statistics, EarlyView.
Abstract Nonignorable missing outcomes are common in real‐world datasets and often require strong parametric assumptions to achieve identification. These assumptions can be implausible or untestable, and so we may wish to forgo them in favour of partially identified models that narrow the set of a priori possible values to an identification region.
Daniel Daly‐Grafstein, Paul Gustafson
wiley   +1 more source

Chronic Kidney Disease-Associated Pruritus Burden: A Patient Survey Study

Kidney Medicine
Rationale & Objective: Chronic kidney disease-associated pruritus (CKD-aP) is a common, underrecognized condition in patients with chronic kidney disease (CKD), especially those receiving hemodialysis (HD).
Jeffrey Thompson, Jennifer Kammerer, Tasha Boshears, Juliana Oliveira, Kirsten L. Johansen, Anna Kovar, Lulu Lee, Gil Yosipovitch   +7 more
doaj   +1 more source

Nonlinear permuted Granger causality

Canadian Journal of Statistics, EarlyView.
Abstract Granger causality is an established, contentious method that seeks causal temporal connections via association and precedence. While not true causal inference, it assists in mapping networks of information flow that may warrant further study.
Noah D. Gade, Jordan Rodu
wiley   +1 more source

Efficient in-memory rebalancings for skewed results in distributed graph queries

Journal of King Saud University: Computer and Information Sciences
Distributed graph queries offer the possibility of executing large-scale graph operations over massive datasets, thereby generating result sets that are distributed across clusters.
Ayoub Berdai, Anas Soukrat, Dalila Chiadmi   +2 more
doaj   +1 more source

Healthcare Providers’ and Pregnant People’s Preferences for a Preventive to Protect Infants from Serious Illness Due to Respiratory Syncytial Virus

Vaccines
We assessed the impact of respiratory syncytial virus (RSV) preventive characteristics on the intentions of pregnant people and healthcare providers (HCPs) to protect infants with a maternal vaccine or monoclonal antibodies (mAbs).
Kathleen M. Beusterien, Amy W. Law, Martine C. Maculaitis, Oliver Will, Lewis Kopenhafer, Patrick Olsen, Brett Hauber, Jeffrey T. Vietri, Joseph C. Cappelleri, Joshua R. Coulter, Kimberly M. Shea   +10 more
doaj   +1 more source

An oracle builder’s toolkit

Information and Computation, 2002
zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Stephen A. Fenner, Lance Fortnow, Stuart A. Kurtz, Lide Li   +3 more
openaire   +1 more source

A Review of Grain Boundaries: Formation Mechanism, Synthesis Strategy, and Application in Electrocatalysis

EcoEnergy, EarlyView.
An overview of grain boundary engineering in the field of electrocatalysis. ABSTRACT Key electrocatalytic reactions such as HER, OER, ORR, CO2RR, and NRR offer promising routes for storing renewable energy as chemical fuels. However, their widespread application is constrained due to the lack of highly active and stable catalysts. Grain boundaries (GBs)
Jingyu Gao, Fengming Zhou, Xinying Li, Ying Deng, Zexing Wu, Siyuan Feng, Yujing Zhu, Dan Zhang, Zhenyu Xiao   +8 more
wiley   +1 more source