Results 241 to 250 of about 842,121 (320)

Predicting High‐Resolution Spatial and Spectral Features in Mass Spectrometry Imaging with Machine Learning and Multimodal Data Fusion

open access: yesAdvanced Intelligent Discovery, EarlyView.
A multimodal fusion pipeline predicts high‐resolution ion distributions in imaging mass spectrometry by integrating Fourier transform ion cyclotron resonance, time‐of‐flight matrix‐assisted laser desorption/ionization, and time‐of‐flight secondary ion mass spectrometry data.
Md Inzamam Ul Haque   +7 more
wiley   +1 more source

Feature Selection for Machine Learning‐Driven Accelerated Discovery and Optimization in Emerging Photovoltaics: A Review

open access: yesAdvanced Intelligent Discovery, EarlyView.
Feature selection combined with machine learning and high‐throughput experimentation enables efficient handling of high‐dimensional datasets in emerging photovoltaics. This approach accelerates material discovery, improves process optimization, and strengthens stability prediction, while overcoming challenges in data quality and model scalability to ...
Jiyun Zhang   +5 more
wiley   +1 more source

Predicting water-conducting fracture zone height in three-soft coal seams using a BOA-MLP model. [PDF]

open access: yesSci Rep
Tang Z   +8 more
europepmc   +1 more source

Information Dense and Industry Scalable Accelerated Formation

open access: yesAdvanced Intelligent Discovery, EarlyView.
Pulsed formation can reduce lithium‐ion battery formation time by over 50% while maintaining or enhancing performance. Validated on 25 Ah prismatic cells, this industry‐scalable method yields thinner, more homogeneous solid electrolyte interphases (SEIs).
Leon Merker   +3 more
wiley   +1 more source

Decoding Tattoo and Permanent Makeup Pigments: Linking Physicochemical Properties to Absorption, Distribution, Metabolism, and Elimination Profiles Using Quantitative Structure–Activity Relationship (QSAR)‐Based New Approach Methodologies (NAMs)

open access: yesAdvanced Intelligent Discovery, EarlyView.
This study applies QSAR‐based new approach methodologies to 90 synthetic tattoo and permanent makeup pigments, revealing systemic links between their physicochemical properties and absorption, distribution, metabolism, and elimination profiles. The correlation‐driven analysis using SwissADME, ChemBCPP, and principal component analysis uncovers insights
Girija Bansod   +10 more
wiley   +1 more source

Universally Accurate or Specifically Inadequate? Stress‐Testing General Purpose Machine Learning Interatomic Potentials

open access: yesAdvanced Intelligent Discovery, EarlyView.
We investigate MACE‐MP‐0 and M3GNet, two general‐purpose machine learning potentials, in materials discovery and find that both generally yield reliable predictions. At the same time, both potentials show a bias towards overstabilizing high energy metastable states. We deduce a metric to quantify when these potentials are safe to use.
Konstantin S. Jakob   +2 more
wiley   +1 more source

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