Results 161 to 170 of about 846,299 (286)

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

Topology‐Enriched Toughness Enhancement in Quasi‐Periodic Metastructures Featuring Tailorable Strong‐Weak Network

open access: yesAdvanced Science, EarlyView.
A quasi‐periodic Dart‐Kite (QDK) metastructure with a golden‐ratio‐constrained strong–weak bond network simultaneously enhances strength, toughness, and damage tolerance. Its distributed topology enables predictable, tailorable crack paths for precise fracture control and stable mechanics, demonstrating a high‐performance, controllable architecture ...
Tianyu Gao   +3 more
wiley   +1 more source

Diffusion-synthesized Chest X-rays improve fairness and diagnostic performance. [PDF]

open access: yesPLOS Digit Health
Rehman D   +5 more
europepmc   +1 more source

Data‐Driven Modeling of Composition–Processing–Microstructure Relations for Recycled Aluminum Cast Alloys

open access: yesAdvanced Science, EarlyView.
Interpretable machine learning reveals how composition and processing govern the formation and microstructural burden of Fe‐rich intermetallic compounds in recycled Al–Si–Fe–Mn alloys. By separating morphology selection from morphology‐conditioned burden partitioning, this framework shows that identical Fe contents can yield different intermetallic ...
Jaemin Wang   +2 more
wiley   +1 more source

Improving Fairness and Mitigating Bias in Multicenter Electronic Health Records Models to Predict Glaucoma Outcomes. [PDF]

open access: yesOphthalmol Sci
Zhao Y   +5 more
europepmc   +1 more source

Thermoelectric Gating Organic Electrochemical Transistors Enabled by Printable Ionogels With n‐p Convertible Thermopower

open access: yesAdvanced Science, EarlyView.
A type of thermoelectric ionogels with convertible n‐p thermopowers are demonstrated with Seebeck coefficients ranging from ‐3.61 to +9.74 mV K−1. Thus, thermoelectric gating organic electrochemical transistor is achieved by employing ionogel as thermoelectric modules and ionic dielectrics simultaneously, paving the road to self‐powered, highly ...
Xingyu Hu   +8 more
wiley   +1 more source

A Universal Approach to Enhancing Silicon Hot‐Carrier Photodetectors for CMOS‐Compatible SWIR Imaging

open access: yesAdvanced Science, EarlyView.
Silicon hot‐carrier photodetectors offer a CMOS‐compatible pathway for SWIR detection but suffer from intrinsically low quantum efficiency. Here, we introduce a quasi‐generalized antireflection coating (QARC) that universally enhances optical absorption and quantum efficiency, enabling the first CMOS‐compatible SWIR imaging with silicon hot‐carrier ...
Eui‐Hyoun Ryu   +11 more
wiley   +1 more source

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