Results 221 to 230 of about 1,412,360 (277)

Generative and Experimental Validation of High Refractive Index Polymers via Domain Knowledge Approach with Small Data

open access: yesAdvanced Intelligent Discovery, EarlyView.
This research demonstrates that the combination of domain knowledge–based multiple regression, multi‐objective Bayesian optimization, and generative models is a suitable prediction tool for candidates of high refractive index polymers, even with the constraints in the model trained on limited data. The experimental validation can reproduce the proposed
Takuya Yokoo   +3 more
wiley   +1 more source

MolMiner: Toward Controllable, Three‐Dimensional‐Aware, Fragment‐Based Molecular Design

open access: yesAdvanced Intelligent Discovery, EarlyView.
MolMiner is a fragment‐based, geometry‐aware, and order‐agnostic generative model for molecular design with strong inductive biases. Using symmetry‐aware fragment assembly, dynamic three‐dimensional geometry, and multi‐property conditioning, MolMiner enables interpretable and controllable molecular generation.
Raul Ortega‐Ochoa   +2 more
wiley   +1 more source

Phylogenetic inference via sequential Monte Carlo. [PDF]

open access: yesSyst Biol, 2012
Bouchard-Côté A   +2 more
europepmc   +1 more source

A Multistrategy AI‐Assisted Consensus Screening Pipeline for Discovery of Candidate p53 Monomer Binders

open access: yesAdvanced Intelligent Discovery, EarlyView.
An ultra‐fast small‐sample AI consensus pipeline combines co‐folding and docking to target structure‐lacking p53 monomers. Its optimal mini‐protein binder shows robust interfacial affinity and promising druggability, supplying unprecedented antitumor p53 templates.
Ningyao Li   +9 more
wiley   +1 more source

Predicting Performance of Hall Effect Ion Source Using Machine Learning

open access: yesAdvanced Intelligent Systems, Volume 7, Issue 3, March 2025.
This study introduces HallNN, a machine learning tool for predicting Hall effect ion source performance using a neural network ensemble trained on data generated from numerical simulations. HallNN provides faster and more accurate predictions than numerical methods and traditional scaling laws, making it valuable for designing and optimizing Hall ...
Jaehong Park   +8 more
wiley   +1 more source

Sequential Monte Carlo tracking of the marginal artery by multiple cue fusion and random forest regression. [PDF]

open access: yesMed Image Anal, 2015
Cherry KM   +8 more
europepmc   +1 more source

Compact Modeling of Volatile‐Switching Electrochemical Metallization Memory Cells by Means of the Electromotive Force

open access: yesAdvanced Intelligent Systems, EarlyView.
A volatile‐switching compact model of electrochemical metallization memory cells for neuromorphic architecture is developed and validated by reliable reproduction of device characterization measurements: I−V sweeps, SET kinetics, relaxation dynamics.
Rana Walied Ahmad   +4 more
wiley   +1 more source

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