Results 171 to 180 of about 1,988,676 (267)

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

Accelerating Discovery of Organic Molecular Crystals via Materials Informatics and Autonomous Experiments

open access: yesAdvanced Intelligent Discovery, EarlyView.
Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi   +2 more
wiley   +1 more source

In Vitro Probiotic Potential of Lactic Acid Bacteria Isolated from Brazilian Dry-Cured Loin (Socol). [PDF]

open access: yesMicroorganisms
Chow FC   +7 more
europepmc   +1 more source

Spatially Informed Feature Selection and Machine Learning in Matrix‐Assisted Laser Desorption/Ionization Imaging for Cohort‐Scale Molecular Tissue Phenomics in Glioblastoma

open access: yesAdvanced Intelligent Discovery, EarlyView.
Matrix‐assisted laser desorption/ionization imaging‐based identification of reliable small molecule markers across heterogeneous glioblastoma cohorts is challenging with intensity‐only methods. We present spatially informed feature selection (SIFS), a spatially informed framework that prioritizes molecules consistently colocalizing with histopathology.
Shad A. Mohammed   +15 more
wiley   +1 more source

Data‐Efficient Cycle‐Level Capacity Prediction Using 1D Deep Convolutional Network

open access: yesAdvanced Intelligent Discovery, EarlyView.
We introduce DeepBat, a deep learning framework featuring a 1D convolutional backbone designed to extract latent degradation patterns from a microstructurally diverse electrode dataset. By learning complex formulation–performance relationships, the model accurately predicts long‐term specific discharge capacity using limited early‐cycle data, providing
Tao Huang   +16 more
wiley   +1 more source

Particle Swarm Optimization as a Noise‐Tolerant Strategy for High‐Entropy Alloy Research

open access: yesAdvanced Intelligent Discovery, EarlyView.
A customized particle swarm optimization algorithm is benchmarked against batch Bayesian optimization across four high‐entropy alloy oxygen‐reduction landscapes. While both methods locate the global optimum comparably under noise‐free conditions, Bayesian optimization’s surrogate model tends to overfit noisy data.
Ahmad Tirmidzi   +2 more
wiley   +1 more source

Camel milk <i>Lactococcus lactis</i> subsp. <i>cremoris</i>: a biocontrol agent against <i>Staphylococcus aureus</i> for fresh beef biopreservation. [PDF]

open access: yesFront Nutr
Latreche B   +11 more
europepmc   +1 more source

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