Results 101 to 110 of about 23,300 (197)

Gaussian Process Regression–Neural Network Hybrid with Optimized Redundant Coordinates: A New Simple Yet Potent Tool for Scientist's Machine Learning Toolbox

open access: yesAdvanced Intelligent Discovery, EarlyView.
A machine learning method, opt‐GPRNN, is presented that combines the advantages of neural networks and kernel regressions. It is based on additive GPR in optimized redundant coordinates and allows building a representation of the target with a small number of terms while avoiding overfitting when the number of terms is larger than optimal.
Sergei Manzhos, Manabu Ihara
wiley   +1 more source

Bottom-up Coarse-Graining: Principles and Perspectives. [PDF]

open access: yesJ Chem Theory Comput, 2022
Jin J   +4 more
europepmc   +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

Robot‐Assisted Measurement of the Critical Micelle Concentration

open access: yesAdvanced Intelligent Systems, Volume 7, Issue 3, March 2025.
The study introduces (SIMO) smart integrator for manual operations, a robotic platform for precise, repeatable determination of (CMC) critical micelle concentration in surfactants. SIMO reduces standard deviation by 80% compared to manual methods. Surfactant, dye, and diluent selection, robotic protocols, and data handling are detailed.
Vincenzo Scamarcio   +3 more
wiley   +1 more source

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