Results 171 to 180 of about 2,795,372 (389)

AI‐Driven Defect Engineering for Advanced Thermoelectric Materials

Advanced Materials, EarlyView.
This review presents how AI accelerates the design of defect‐tuned thermoelectric materials. By integrating machine learning with high‐throughput data and physics‐informed representations, it enables efficient prediction of thermoelectric performance from complex defect landscapes.
Chu‐Liang Fu, Mouyang Cheng, Nguyen Tuan Hung, Eunbi Rha, Zhantao Chen, Ryotaro Okabe, Denisse Córdova Carrizales, Manasi Mandal, Yongqiang Cheng, Mingda Li   +9 more
wiley   +1 more source

One size does not fit all: revising traditional paradigms for assessing accuracy of QSAR models used for virtual screening

Journal of Cheminformatics
Traditional best practices for quantitative structure activity relationship (QSAR) modeling recommend dataset balancing and balanced accuracy (BA) as the key desired objective of model development.
James Wellnitz, Sankalp Jain, Joshua E. Hochuli, Travis Maxfield, Eugene N. Muratov, Alexander Tropsha, Alexey V. Zakharov   +6 more
doaj   +1 more source

How good are AlphaFold models for docking-based virtual screening?

iScience, 2022
Valeria Scardino, Juan I. Di Filippo, Claudio N. Cavasotto   +2 more
semanticscholar   +1 more source

Beyond Presumptions: Toward Mechanistic Clarity in Metal‐Free Carbon Catalysts for Electrochemical H2O2 Production via Data Science

Advanced Materials, EarlyView.
Metal‐free carbon catalysts enable the sustainable synthesis of hydrogen peroxide via two‐electron oxygen reduction; however, active site complexity continues to hinder reliable interpretation. This review critiques correlation‐based approaches and highlights the importance of orthogonal experimental designs, standardized catalyst passports ...
Dayu Zhu, Hsi‐wen Wu, Xiao Wang, Jie Zhang   +3 more
wiley   +1 more source

Multi‐Scale Modeling of a 3D Soft Magnetoelectric Patch for Wireless Nerve Stimulation

Advanced Materials Interfaces, EarlyView.
Core‐shell, magnetoelectric nanoparticles (MENPs) can serve as wireless electric nano‐sources, thanks to their ability to generate high levels of electricity, when stimulated by a human‐safe external magnetic field. By combining MENPs with soft, biocompatible polymeric matrices and optimizing its composite configuration and electrical behavior via ...
Giulia Suarato, Alessandra Marrella, Anna Tommasini, Serena Fiocchi, Emma Chiaramello, Marta Parazzini, Paolo Ravazzani   +6 more
wiley   +1 more source

ZINC — A Free Database of Commercially Available Compounds for Virtual Screening. [PDF]

, 2005
John J. Irwin, Brian K. Shoichet
openalex   +1 more source

Biomechanical and Displacement‐Related Considerations in the Design of a 3D‐Printed Composite Energy‐Storage‐and‐Return Prosthetic Foot

Advanced Materials Technologies, EarlyView.
For the first time, Continuous Fiber‐Reinforced 3D printing is used to fabricate a foot prosthesis, exploring the flexibility in the design space granted by additive manufacturing, evaluating computationally and experimentally the effect of different design features on the mechanical and biomechanical response of the material, to locally tune the ...
Jacopo Romanò, Lorenzo Garavaglia, Abdel Rahman Nedal Al Thahabi, Luca Michele Martulli, Gennaro Rollo, Andrea Sorrentino, Fabio Lazzari, Marino Lavorgna, Andrea Bernasconi, Emanuele Gruppioni, Simone Pittaccio   +10 more
wiley   +1 more source

HPV self-sampling implementation strategies to engage under screened communities in cervical cancer screening: a scoping review to inform screening programs

Frontiers in Public Health
IntroductionHuman papillomavirus (HPV) testing as a method of cervical cancer screening can be performed by healthcare providers or by patients through self-sampling directly in the community, removing several barriers experienced by under screened ...
Madison M. Fullerton, Madison M. Fullerton, Caitlin Ford, Chelsea D’Silva, Bonnie Chiang, Se-Inyenede Onobrakpor, Holly Dievert, Huiming Yang, Jason Cabaj, Jason Cabaj, Noah Ivers, Noah Ivers, Sandra Davidson, Jia Hu, Jia Hu, Jia Hu   +15 more
doaj   +1 more source

Frontal Affinity Chromatography with MS Detection of EphB2 Tyrosine Kinase Receptor. 2. Identification of Small-Molecule Inhibitors via Coupling with Virtual Screening [PDF]

, 2005
Leticia Toledo‐Sherman, Eugen Deretey, Jacek J. Slon‐Usakiewicz, William Ng, Jin‐Rui Dai, J. Estelle Foster, Peter R. Redden, Marni D. Uger, Linda Liao, Andrew Pasternak, Neil Reid   +10 more
openalex   +1 more source

Green Light Vat‐Photopolymerisation for 3D Printing Hydrogels with Complex Lattice Structures

Advanced Materials Technologies, EarlyView.
Green‐light vat‐photopolymerization (gDLP) at 514 nm enables high‐resolution 3D printing of water‐rich hydrogels (60% water) with 50 μm$\umu{\rm m}$ layer precision. This study pioneers a cost‐effective, modified desktop printer and novel bioresins to fabricate complex vascularized lattices.
Livia M. Kalossaka, Ali A. Mohammed, Laura Bastos, Laura M. C. Barter, Connor W. Myant   +4 more
wiley   +1 more source