Results 201 to 210 of about 231,913 (277)

AS‐pHopt: An Optimal pH Prediction Model Enhanced by Active Site of Enzymes

Advanced Intelligent Discovery, EarlyView.
To address the low accuracy of enzyme optimal pH (pHopt) prediction, this study develops active site‐based pHopt (AS‐pHopt), a prediction model enhanced by active site information and pseudo‐label prediction. Integrating key structural and physicochemical features affecting enzyme pHopt, AS‐pHopt uses Evolutionary Scale Modeling (ESM)‐2 with active ...
Wenxiang Song, Xinmin Li, Hongbo Yu, Le Xiong, Guixia Liu, Weihua Li, Yun Tang   +6 more
wiley   +1 more source

Large‐Scale Machine Learning to Screen for Small‐Molecule Senolytics

Advanced Intelligent Discovery, EarlyView.
A consistent workflow underpins all experiments in this study. A dedicated model‐selection dataset first identifies optimal hyperparameters for each algorithm. Models are then trained and rigorously evaluated on independent sets of molecules using the senolytic ratio SR. Comprehensive hyperparameter exploration across SMILES representations, task types,
Alexis Dougha, Jesus Gil, Pedro J. Ballester   +2 more
wiley   +1 more source

Crystal Structure Prediction of Inorganic Materials: A Benchmark and Modern Evaluation

Advanced Intelligent Discovery, EarlyView.
Predicting a crystal’s structure from composition alone is a long‐standing challenge in materials discovery. The CSP180 benchmark of 180 inorganic crystals evaluates thirteen crystal structure prediction algorithms requiring no density functional theory (DFT) against DFT‐based baselines across twelve metrics.
Lai Wei, Sadman Sadeed Omee, Rongzhi Dong, Nihang Fu, Yuqi Song, Edirisuriya M. Dilanga Siriwardane, Meiling Xu, Ming Hu, Chris Wolverton, Jianjun Hu   +9 more
wiley   +1 more source

Artificial Intelligence for Advanced Functional Materials: Progress and Emerging Frontiers

Advanced Intelligent Systems, EarlyView.
Artificial intelligence is transforming the discovery of functional materials by linking synthesis, characterization, simulation, and design in unified workflows. Advances in machine learning, autonomous experimentation, and foundation models are accelerating innovation across energy, electronics, and biomedicine, while revealing new frontiers for ...
Cristiano Malica, Kostya S. Novoselov, Seongmin Kim, Yousung Jung, Silvana Botti, Miguel A. L. Marques, Tigany Zarrouk, Miguel A. Caro, Sanggyu Chong, Michele Ceriotti, Marivi Fernandez‐Serra, Sara Navarro‐Rodriguez, Aakash Ashok Naik, Janine George, Ömer Hasan Omar, Victor Trinquet, Gian‐Marco Rignanese, Andrey Ustyuzhanin, Sonia Conesa‐Boj, Juan Rojo, Minh‐Tuan Dau, Simon M.‐M. Dubois, Jean‐Christophe Charlier, Jose H. Garcia, Romain Gautier, Rachid Laref, Junfeng Qiao, Giovanni Pizzi, Nicola Marzari, Camilla Coletti, Antonio Rossi, Jan‐Lucas Uslu, Chiara Zanardi, Vincenzo Palermo, Wide Hogenhout, Natalia Konchakova, Peter Klein, Tejs Vegge, Stephan Roche   +38 more
wiley   +1 more source

Dynamic Behavioral Profiling for User Authentication Using Binary Pressure Sequences and Grip Patterns via a Soft Stacking Ensemble

Advanced Intelligent Systems, EarlyView.
A smartphone‐embedded fabric‐strip sensing interface captures side‐pressure sequences and grip‐position patterns for behavioral authentication. Probability‐based soft stacking integrates class‐wise predictive probabilities from multiple learners to improve verification‐style discrimination, supporting a sensor‐integrated mobile‐security framework that ...
Wonki Hong
wiley   +1 more source

A Comprehensive Review on Additive Manufacturing of Smart Components: Technologies, Applications, and Future Scope

Advanced Intelligent Systems, EarlyView.
How can additive manufacturing enable components that sense, adapt, heal, and power themselves? This review synthesizes recent advances in smart functionalities, manufacturing technologies, and intelligent design strategies, revealing a pathway toward fully integrated, autonomous, and multifunctional systems across diverse engineering sectors. Additive
Aiswarya Rony, P. M. Ushasree, Michael Short, Jinoop Arackal Narayanan   +3 more
wiley   +1 more source

AI‐Enabled RGB Light‐to‐Frequency Sensor for Nondestructive Salinity Stress Monitoring in Medicinal Plants

Advanced Intelligent Systems, EarlyView.
A distributed wireless sensing framework enables noninvasive monitoring of plant salinity stress through leaf reflectance measurements acquired with portable optical sensors. The collected data are processed using TinyML‐based neural network models deployed at the edge, enabling accurate, real‐time, and low‐cost classification of salinity levels, while
Ali Ahmad, Vinie Lee Silva‐Alvarado, Arman Heydari, Sandra Sendra, Jaime Lloret   +4 more
wiley   +1 more source

3D Closed‐Loop Navigation of Magnetic Microswimmers Using Vision‐Derived Depth Feedback

Advanced Intelligent Systems, EarlyView.
A planar magnetic microswimmer is navigated in three dimensions under a standard microscope. Image defocus supplies a real‐time depth cue, and model‐predictive control with A* planning steers the body on surfaces and in free swimming. Axial position is regulated by propulsion alone, without magnetic field gradients or extra cameras.
Yasin Cagatay Duygu, Sangwon Lee, Min Jun Kim   +2 more
wiley   +1 more source