Results 201 to 210 of about 16,122 (341)

Spectral Decomposition of Chemical Semantics for Activity Cliffs‐Aware Molecular Property Prediction

open access: yesAdvanced Science, EarlyView.
PrismNet mimics chemical intuition by functioning as a computational prism, refracting molecular graphs into complementary semantic views and spectral frequencies. This dual‐decomposition strategy effectively captures both global topologies and subtle “activity cliff” perturbations.
Chaoyang Xie   +9 more
wiley   +1 more source

Inferring Gene Regulatory Networks From Single‐Cell RNA Sequencing Data by Dual‐Role Graph Contrastive Learning

open access: yesAdvanced Science, EarlyView.
RegGAIN is a novel and powerful deep learning framework for inferring gene regulatory networks (GRNs) from single‐cell RNA sequencing data. By integrating self‐supervised contrastive learning with dual‐role gene representations, it consistently outperforms existing methods in both accuracy and robustness.
Qiyuan Guan   +9 more
wiley   +1 more source

Bronchial cast extrication in an intubated and ventilated patient [PDF]

open access: bronze, 2019
Charles Coughlan   +3 more
openalex   +1 more source

Decoding Trap States in Working 2D Perovskite Multi‐Functional Devices

open access: yesAdvanced Science, EarlyView.
Illustration of the photoluminescence spectrum and energy‐level landscape governing trap‐mediated carrier dynamics in 2D F‐PEAI photodetectors. A novel approach capturing dynamic trap occupation and retrapping in devices under operating conditions, directly links defect energetics to carrier transport and enhanced photoresponse in multifunctional ...
Ioannis Leontis   +8 more
wiley   +1 more source

Hierarchical Embedded Sphere Model: An Interpretable ML‐Guided Multiscale Descriptor Engineering Decodes OER Activity on TM@MO2 Catalysts

open access: yesAdvanced Science, EarlyView.
Hierarchical Embedded Sphere Model combines DFT and interpretable machine learning to decode catalytic activity on TM‐doped MO2. It disentangles global electronic, active‐site, and local coordination effects, revealing two activation mechanisms: dopant‐driven (Rh@MO2) and coordination‐mediated (Fe@ZrO2).
Ziyuan Li   +5 more
wiley   +1 more source

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