Results 81 to 90 of about 252,758 (328)

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

A Generalized Framework for Data‐Efficient and Extrapolative Materials Discovery for Gas Separation

open access: yesAdvanced Intelligent Discovery, EarlyView.
This study introduces an iterative supervised machine learning framework for metal‐organic framework (MOF) discovery. The approach identifies over 97% of the best performing candidates while using less than 10% of available data. It generalizes across diverse MOF databases and gas separation scenarios.
Varad Daoo, Jayant K. Singh
wiley   +1 more source

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

Multi‐Property Machine Learning Models to Accelerate the Transition Toward Bio‐Based Emulsion Polymers

open access: yesAdvanced Intelligent Discovery, EarlyView.
A machine learning framework simultaneously predicts four critical properties of monomers for emulsion polymerization: propagation rate constant, reactivity ratios, glass transition temperature, and water solubility. These tools can be used to systematically identify viable bio‐based monomer pairs as replacements for conventional formulations, with ...
Kiarash Farajzadehahary   +1 more
wiley   +1 more source

Temporal dynamics of pain smile [PDF]

open access: yes, 2012
In temporal dynamics of facial expressions it has been suggested that fake and genuine expressions may be distinguished mostly through differences in their temporal pattern.
De Sousa, Cristina   +3 more
core  

Feature Disentangling and Combination Implemented by Spin–Orbit Torque Magnetic Tunnel Junctions

open access: yesAdvanced Intelligent Systems, EarlyView.
Spin–orbit torque magnetic tunnel junctions (SOT‐MTJs) enable efficient feature disentangling and integration in image data. A proposed algorithm leverages SOT‐MTJs as true random number generators to disentangle and recombine features in real time, with experimental validation on emoji and facial datasets.
Xiaohan Li   +15 more
wiley   +1 more source

Parametric Pricing of Higher Order Moments in S&P500 Options. [PDF]

open access: yes
A general parametric framework is developed for pricing S&P500 options. Skewness and leptokurtosis in stock returns as well as time-varying volatility are priced.
G.C. Lim, G.M. Martin, V.L. Martin
core  

Application of heterocyclic aldehydes as components in Ugi–Smiles couplings

open access: yesBeilstein Journal of Organic Chemistry, 2016
Efficient one-pot Ugi–Smiles couplings are reported for the use of furyl-substituted aldehyde components. In the presence of these heterocyclic aldehydes, reactions tolerated variations in amine components and led to either isolated N-arylamide Ugi ...
Katelynn M. Mason   +3 more
doaj   +1 more source

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