Results 241 to 250 of about 1,858,266 (298)

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

AI‐Powered, Temperature‐Resolved Centrifugal Microfluidics for Rapid 3D Phase‐Diagram Generation of Biomolecular Condensates

open access: yesAdvanced Science, EarlyView.
By merging centrifugal microfluidics, precise temperature control, and AI image recognition, T‐PhaseMap transforms biomolecular condensate phase mapping into a rapid, temperature‐resolved workflow. It generates 3D composition–temperature phase diagrams within 30 min, resolves four phase states, and uncovers temperature‐dependent heparin sodium ...
Jiashuo Li   +6 more
wiley   +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

Molecular Atlas of Key Food Odorants Reveals Mixture‐Level Organization and Enables Generative Aroma Design

open access: yesAdvanced Science, EarlyView.
KFO‐Atlas reveals how real‐world aromas are organized as structured mixtures rather than individual molecules. Building on these principles, KFO‐Gen, a generative AI framework, designs perceptually valid aroma formulations and reconstructs meat‐like aromas exclusively from plant‐derived odorants, providing a foundation for mixture‐level studies and AI ...
Jingzhi Zhang   +5 more
wiley   +1 more source

From QSAR to deep learning: an interpretable comprehensive pipeline with a read-across approach for mutagenicity prediction <i>via</i> the Enalos Cloud Platform. [PDF]

open access: yesRSC Adv
Varsou DD   +9 more
europepmc   +1 more source

Machine Learning‐Assisted Design and Performance Prediction of a Compact Dual‐Band Polarization‐Insensitive THz Metamaterial Absorber for Skin‐Cancer‐Related Refractive‐Index Sensing

open access: yesAdvanced Electronic Materials, EarlyView.
A compact QASRR‐based THz metamaterial absorber enables polarization‐insensitive dual‐band absorption and skin‐cancer‐related refractive‐index sensing through measurable resonance shifts. Field, surface‐current, and circuit analyses clarify the dual‐resonance mechanism, while StackNet‐assisted prediction accurately estimates the simulated absorption ...
Md. Murad Kabir Nipun   +5 more
wiley   +1 more source

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