Results 231 to 240 of about 181,630 (309)

Revisiting Target‐Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter

open access: yesAdvanced Science, EarlyView.
TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin   +11 more
wiley   +1 more source

Cancer‐Associated Fibroblast‐Derived Sphingosine‐1‐Phosphate Activates a MALL–SDC4 Axis to Facilitate Perineural Invasion in Pancreatic Cancer

open access: yesAdvanced Science, EarlyView.
CAF‐derived S1P activates the S1PR3‐JNK‐Jun signaling pathway, thereby transcriptionally upregulating MALL expression in cancer cells. MALL increases the cell‐surface abundance of SDC4 by promoting its recycling and restricting its lysosomal degradation, which in turn enhances RhoA‐p‐MLC2‐dependent amoeboid invasion and SDC4‐PTN axis‐mediated cancer ...
Wang Peng   +16 more
wiley   +1 more source

Spatially Separated Redox Centers in One‐Dimensional Sp2‐Carbon Covalent Organic Frameworks Enable Synergistic Photocatalytic Palladium Recovery and Bisphenol A Mineralization

open access: yesAdvanced Science, EarlyView.
A one‐dimensional sp2‐carbon covalent organic framework with spatially segregated redox centers integrates a dual photosensitizing system and a cationic interface for synergistic photocatalysis. The material achieves exceptional palladium recovery (1749 mg g−1) and bisphenol A mineralization (0.1710 min−1) without sacrificial agents, demonstrating ...
Yi‐Ru Chen   +9 more
wiley   +1 more source

Triple‐Mode Ferroelectric Thin‐Film Transistor for Hybrid Electrical–Optical Reservoir Computing

open access: yesAdvanced Science, EarlyView.
A triple‐mode ferroelectric thin‐film transistor is developed by integrating Si3N4/HZO/IGZO layers to realize three independent memory modes: electric long‐term, electric short‐term, and optical short‐term. This single‐device architecture functions as both a reservoir and readout layer, achieving 92.43% MNIST accuracy. It offers a fully hardware‐based,
Hyeonho Lee   +9 more
wiley   +1 more source

Decoupling Intrinsic Molecular Efficacy From Platform Effects: An Interpretable Machine Learning Framework for Unbiased Perovskite Passivator Discovery

open access: yesAdvanced Science, EarlyView.
This study establishes an interpretable machine learning framework that disentangles the intrinsic molecular efficacy of passivators from experimental platform effects—enabling unbiased, high‐throughput discovery of effective perovskite surface modifiers.
Jing Zhang   +5 more
wiley   +1 more source

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