Results 131 to 140 of about 29,764 (261)

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

Soliton solutions for the nonlinear Zoomeron equation applying the modified Khater method. [PDF]

open access: yesSci Rep
Saleem A   +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

INDETERMINACY IN A LOG-LINEARIZED NEOCLASSICAL ROWTH MODEL WITH QUASI-GEOMETRIC DISCOUNTING [PDF]

open access: yes
This paper studies the properties of solutions to a log-linearized version of the neoclassical growth model with quasi-geometric discounting. We show that after the log-linearization, the model has indeterminacy and multiplicity of equilibria even though
Lilia Maliar, Serguei Maliar
core  

SpaMode: A Broadly Applicable Framework for Deciphering Spatial Multi‐Omics Using Multimodal Mixture of Disentangled Experts

open access: yesAdvanced Science, EarlyView.
SpaMode introduces a versatile framework for spatial multi‐omics integration across vertical, horizontal, and mosaic scenarios. By disentangling modality‐invariant and variant features through a mixture‐of‐experts mechanism, it adaptively reconfigures spatially heterogeneous signals.
Xubin Zheng   +6 more
wiley   +1 more source

Multi‐Channel Electrically Tunable Varifocal Metalens With Compact Multilayer Polarization‐Dependent Metasurfaces and Liquid Crystals

open access: yesAdvanced Science, EarlyView.
A compact eight‐channel electrically tunable varifocal metalens with three single‐layer polarization‐multiplexed bi‐focal metalens and three LC cells. The total thickness of the device is ∼6 mm, while the focal lengths can be switched among eight values (3.6, 4.2, 4.5, 4.9, 6.2, 6.9, 8.4, and 9.6 mm). ABSTRACT As an essential module of optical systems,
Zhiyao Ma   +11 more
wiley   +1 more source

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