Results 201 to 210 of about 341,640 (282)

Machine Learning for Organic Fluorescent Materials

open access: yesAggregate, EarlyView.
Organic fluorescent materials (OFMs) have demonstrated significant potential in diverse applications. Conventional approaches for studying OFMs face significant limitations in fluorescence spectroscopy and computational methods. Machine learning (ML) has revolutionized materials chemistry, offering superior predictive accuracy and efficiency over ...
Jiamin Zhong   +7 more
wiley   +1 more source

Internet of Things‐Based Framework Application at a University Campus Scale: Linking Smart Monitoring Systems and Stormwater Management

open access: yesAdvanced Intelligent Discovery, EarlyView.
This study presents an Internet of Things‐based stormwater monitoring framework piloted at the University of Maryland campus to support Municipal Separate Stormwater Sewer System compliance and adaptive planning. Developed with key campus stakeholders, the framework integrates real‐time sensor deployment, data‐informed insights on runoff and water ...
Qianyao Si   +16 more
wiley   +1 more source

In Situ Graph Reasoning and Knowledge Expansion Using Graph‐PRefLexOR

open access: yesAdvanced Intelligent Discovery, EarlyView.
Graph‐PRefLexOR is a novel framework that enhances language models with in situ graph reasoning, symbolic abstraction, and recursive refinement. By integrating graph‐based representations into generative tasks, the approach enables interpretable, multistep reasoning.
Markus J. Buehler
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

opXRD: Open Experimental Powder X‐Ray Diffraction Database

open access: yesAdvanced Intelligent Discovery, EarlyView.
We introduce the Open Experimental Powder X‐ray Diffraction Database, the largest openly accessible collection of experimental powder diffractograms, comprising over 92,000 patterns collected across diverse material classes and experimental setups. Our ongoing effort aims to guide machine learning research toward fully automated analysis of pXRD data ...
Daniel Hollarek   +23 more
wiley   +1 more source

Advanced Experiment Design Strategies for Drug Development

open access: yesAdvanced Intelligent Discovery, EarlyView.
Wang et al. analyze 592 drug development studies published between 2020 and 2024 that applied design of experiments methodologies. The review surveys both classical and emerging approaches—including Bayesian optimization and active learning—and identifies a critical gap between advanced experimental strategies and their practical adoption in ...
Fanjin Wang   +3 more
wiley   +1 more source

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