Results 231 to 240 of about 34,160 (311)

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

open access: yesAdvanced 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   +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]

open access: yesBMJ Open Diabetes Res Care
Sklepinski S   +13 more
europepmc   +1 more source

Machine‐Learning‐Assisted Onset‐Time Determination in Transient Luminescence Thermometry

open access: yesAdvanced Intelligent Discovery, EarlyView.
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]

open access: yesJAC Antimicrob Resist
Nsubuga B   +12 more
europepmc   +1 more source

Autonomous X‐Ray Fluorescence Mapping for Nanoscale Chemical Speciation of Fine Particulate Matter

open access: yesAdvanced Intelligent Discovery, EarlyView.
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

Deep Learning–Based Extraction of Promising Material Groups and Common Features from High‐Dimensional Data: A Case of Optical Spectra of Inorganic Crystals

open access: yesAdvanced Intelligent Discovery, EarlyView.
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]

open access: yesSci Rep
Guo Y   +7 more
europepmc   +1 more source

Interpretable Machine Learning for Bandgap Prediction and Descriptor‐Guided Design Rules of Phosphates

open access: yesAdvanced Intelligent Discovery, EarlyView.
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

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