Results 151 to 160 of about 181,083 (295)

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

Práticas maternas de controlo sobre a alimentação de crianças em idade escolar [PDF]

open access: yes, 2013
Dissertação de mestrado integrado em Psicologia (área de especialização em Psicologia Clínica)As práticas parentais de controlo alimentar das crianças têm sido associadas ao índice de massa corporal (IMC) e aos comportamentos alimentares destas.
Lima, Virgínia Catarina Teixeira Antunes
core  

GED‐CRN Breaks the Data Barrier: High‐Fidelity Electron Density Prediction Using Only 19 Training Molecules

open access: yesAggregate, EarlyView.
GED‐CRN: A Machine Learning Framework for Predicting Electron Density Distributions from Molecular Geometries via a Cube‐Sampling Approach. ABSTRACT We present GED‐CRN, a 3D convolutional residual network that achieves quantum‐chemical accuracy (MAE =7.6×10−4$= 7.6 \times 10^{-4}$ bohr−3${\rm bohr}^{-3}$) in predicting electron densities for AIE‐active
Junyi Gong   +4 more
wiley   +1 more source

Perfil nutricional de recém-nascidos de mães adolescentes suplementadas com ferro, em diferentes concentrações, zinco e ácido fólico [PDF]

open access: gold, 2002
Nadir do Nascimento Nogueira   +3 more
openalex   +1 more source

Digital design and optimization of the integrated synthesis and crystallization process using data‐driven approaches

open access: yesAIChE Journal, EarlyView.
Abstract This study presents a data‐driven modeling and multi‐objective optimization framework for an integrated section of continuous pharmaceutical manufacturing, focusing on flow synthesis and continuous crystallization. To address data scarcity and trade‐offs among product quality, efficiency, and environmental impact, the framework combines ...
Yiming Ma   +7 more
wiley   +1 more source

Fatores que apoiam e não apoiam a permanência de mães acompanhantes em unidade de pediatria hospitalar [PDF]

open access: gold, 2002
Liamara da Silva Siqueira   +2 more
openalex   +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

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