Results 131 to 140 of about 2,014 (239)

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

Silicon‐Embedded Multifunctional Heterogeneous Integration for Miniaturized Photoplethysmography Detection Devices

open access: yesAdvanced Science, EarlyView.
ABSTRACT The multifunctional integration of chips with high flexibility and scalable manufacturing is crucial for enhancing chip performance, reducing chip size, and simplifying chip design. However, balancing volume, cost, flexibility, and functionality using traditional heterogeneous integration methods is challenging.
Lang Chen   +7 more
wiley   +1 more source

Fine-Tuning Catalysts: The Role of Support Nanomorphology in Shaping Cu/CeO<sub>2</sub> CO-PROX Properties. [PDF]

open access: yesACS Catal
Fernández-Villanueva E   +9 more
europepmc   +1 more source

Giant Conductivity Modulation and Chemical Neuromodulation via Proton‐Electron Coupling in a Hydrogen‐Bonded Coordination Polymer

open access: yesAdvanced Science, EarlyView.
A “de‐doping” strategy positions mixed protonic–electronic conductors (MPECs) as adaptive neuromorphic platforms with dynamically tunable transport. Co‐BAND achieves giant conductivity modulation (>106) and chemically tunable synaptic plasticity. Analogous to biological neuromodulation, solvent vapors dynamically reprogram the device's learning rules ...
Kwangmin Park   +10 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

A New Customizable Surfactant LLPS Strategy for Sustainable and Highly Efficient Radioactive Metal Ion Separation

open access: yesAdvanced Science, EarlyView.
A diluent‐free, customizable liquid–liquid phase separation (LLPS) platform enables highly efficient radioactive metal ion extraction and stripping. By encapsulating hydrophobic extractants into an ionic surfactant‐rich condensed phase, this LLPS system leverages synergistic electrostatic and coordination interactions.
Ruihan Yan   +7 more
wiley   +1 more source

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