AS‐pHopt: An Optimal pH Prediction Model Enhanced by Active Site of Enzymes
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 +6 more
wiley +1 more source
Comparative effectiveness of sulfonylureas on kidney outcomes in adults with type 2 diabetes and moderate cardiovascular risk: a target trial emulation. [PDF]
Sklepinski S +13 more
europepmc +1 more source
Machine‐Learning‐Assisted Onset‐Time Determination in Transient Luminescence Thermometry
Artificial neural networks enable autonomous extraction of onset times from transient heating curves in luminescence thermometry. Using Ln3+‐doped upconverting nanoparticles as luminescent thermometers, we combine experimental transients with physically motivated synthetic curves to enhance data diversity and improve generalization.
David J. Sousa +3 more
wiley +1 more source
Antibacterial consumption in public health facilities in Uganda: a trend analysis of national warehouse distribution data 2022-2024. [PDF]
Nsubuga B +12 more
europepmc +1 more source
Autonomous X‐Ray Fluorescence Mapping for Nanoscale Chemical Speciation of Fine Particulate Matter
We present X‐AutoMap, an autonomous X‐ray fluorescence mapping framework that integrates real‐time analysis with rule‐based computer vision to selectively target chemically relevant regions. By avoiding background‐dominated areas, the method reduces acquisition time by fourfold while enabling accurate particle‐level speciation.
Carlos Deleon +3 more
wiley +1 more source
Embodied intelligence-driven adaptive collaboration in supply chains: A four-dimensional synergy framework and mechanism analysis. [PDF]
Ding Z, Lin H, Xu H, Zhang X, Zhu X.
europepmc +1 more source
We report a novel interpretation method for deep learning models based on feature extraction and clustering. Applying this method to an atomistic line graph neural network (ALIGNN) model trained on optical absorption spectra of 2,681 inorganic compounds obtained from first‐principles calculations, we successfully identify key factors underlying ...
Akira Takahashi +3 more
wiley +1 more source
Research on AGV based on improved A-star algorithm. [PDF]
Guo Y +7 more
europepmc +1 more source
An explainable CatBoost model was trained to predict the bandgaps of 474 phosphate crystals based on composition and density descriptors. SHAP analysis identified two key variables—d‐electron‐count dispersion and atomic‐density dispersion—as the primary drivers of the model's predictions.
Wenhu Wang +3 more
wiley +1 more source
A Multi-Controller Embedded Intelligent Crane System with Integrated Fire Safety for Light-Load Material Handling. [PDF]
Huang Z +6 more
europepmc +1 more source

