Results 161 to 170 of about 8,664,315 (234)

Interpretable Deep Learning of Molecule‐Solvent Interactions Using a Solvatochromic Subgroup Contribution Framework

open access: yesAdvanced Science, EarlyView.
Chemistry‐informed deep learning (DL) models based on the solvatochromic subgroup contribution (SSC) framework predict and interpret solvent‐dependent spectral shifts, revealing physically meaningful subgroup‐solvent interactions. ABSTRACT Solvent effects critically influence the photophysical and optical properties of molecules in solution, yet a ...
Jinyong Park   +4 more
wiley   +1 more source

A Physical Adaptive Material Motor Unit Neural Network: A Hygromorph Composite Material Machine

open access: yesAdvanced Science, EarlyView.
This study introduces a new class of material‐based intelligent machines. It presents a Physical Adaptive Material Motor Unit Neural Network, an assembly of smart 4D printed actuators and a controlling system that adapt through environmental interaction its shading behavior.
Charles de Kergariou   +2 more
wiley   +1 more source

Quantitative Visualization of Intracellular Nanometabolism Using Peak‐Shifted Dual‐State Emissive FRET Nanoprobes

open access: yesAdvanced Science, EarlyView.
This study reveals the long‐elusive intracellular dissolution mechanism of carrier‐free nanomedicines. By utilizing peak‐shifted dual‐state emissive FRET nanoprobes (PDFNPs) that undergo a distinct ratiometric fluorescence peak shift upon disassembly, we achieve real‐time, quantitative tracking of dissolution kinetics in live cells.
Farsai Taemaitree   +18 more
wiley   +1 more source

Similarity‐Enhanced Representation Learning of Non‐Canonical Amino Acids for Therapeutic Peptide Modeling

open access: yesAdvanced Science, EarlyView.
Non‐canonical amino acids (ncAAs) enhance peptide therapeutics but remain difficult to model computationally. SinCAA, a similarity‐enhanced pretraining framework, jointly optimizes contrastive learning guided by a novel conformational similarity metric with masked node reconstruction, capturing both functional relationships and chemical identity of ...
Chencheng Xu   +8 more
wiley   +1 more source

Initial organization and progressive expansion of the math-responsive brain network during the first school years. [PDF]

open access: yesProc Natl Acad Sci U S A
Morfoisse T   +5 more
europepmc   +1 more source

MethyAnno: An Interpretable Automated Annotation Method Leveraging Multi‐Scale Information and Metric Learning Framework for scDNAm Data

open access: yesAdvanced Science, EarlyView.
MethyAnno enables robust and interpretable annotation of single‐cell DNA methylation data by integrating multi‐scale epigenetic information, bidirectional cross‐attention, and prototype‐based metric learning. The framework resolves rare and novel cell types across datasets while revealing cell‐type‐specific epigenetic signatures associated with disease
Yuhang Jia   +4 more
wiley   +1 more source

Eight quick tips for data-model integration in ecology. [PDF]

open access: yesPLoS Comput Biol
Balstad LJ   +14 more
europepmc   +1 more source

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