Results 161 to 170 of about 37,717 (290)

Accelerating Primary Screening of USP8 Inhibitors from Drug Repurposing Databases with Tree‐Based Machine Learning

open access: yesAdvanced Intelligent Discovery, EarlyView.
This study introduces a tree‐based machine learning approach to accelerate USP8 inhibitor discovery. The best‐performing model identified 100 high‐confidence repurposable compounds, half already approved or in clinical trials, and uncovered novel scaffolds not previously studied. These findings offer a solid foundation for rapid experimental follow‐up,
Yik Kwong Ng   +4 more
wiley   +1 more source

ChatCFD: A Large Language Model‐Driven Agent for End‐to‐End Computational Fluid Dynamics Automation with Structured Knowledge and Reasoning

open access: yesAdvanced Intelligent Discovery, EarlyView.
Chat computational fluid dynamics (CFD) introduces an large language model (LLM)‐driven agent that automates OpenFOAM simulations end‐to‐end, attaining 82.1% execution success and 68.12% physical fidelity across 315 benchmarks—far surpassing prior systems.
E Fan   +8 more
wiley   +1 more source

A Mechanochemical Kolbe–Schmitt Reaction: Catechol Carboxylation Provides Building Blocks for Renewable Plasticizers

open access: yesAngewandte Chemie, EarlyView.
A mechanochemical Kolbe–Schmitt reaction of disodium catecholate enables the synthesis of mono‐ and dicarboxylated catechols at low temperature and CO2 pressure. Directly derivatizing the resulting carboxylic acid and phenolic moieties in the obtained mixture provides plasticizer blends with efficiencies competitive to commercial benchmarks.
Dries De Vos   +9 more
wiley   +2 more sources

Toward Predictable Nanomedicine: Current Forecasting Frameworks for Nanoparticle–Biology Interactions

open access: yesAdvanced Intelligent Discovery, EarlyView.
Predictive models successfully screen nanoparticles for toxicity and cellular uptake. Yet, complex biological dynamics and sparse, nonstandardized data limit their accuracy. The field urgently needs integrated artificial intelligence/machine learning, systems biology, and open‐access data protocols to bridge the gap between materials science and safe ...
Mariya L. Ivanova   +4 more
wiley   +1 more source

A General Group Testing Strategy for Discovering Chemical Cooperativity

open access: yesAngewandte Chemie, EarlyView.
A combinatorial design theory‐based group testing strategy coupled with luminescence screening to uncover cooperative interactions in a large combinatorial space. Iterative deconvolution identifies reactive molecular pairs and enables the discovery of trifluoromethylthiolation (SCF3) reagents.
Philipp M. Pflüger   +9 more
wiley   +2 more sources

The error performance analysis over cyclic redundancy check codes.

open access: yes, 1991
The burst error is generated in digital communication networks by various unpredictable conditions, which occur at high error rates, for short durations, and can impact services. To completely describe a burst error one has to know the bit pattern. This is impossible in practice on working systems.
openaire   +1 more source

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