Results 201 to 210 of about 224,593 (278)

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

Advanced 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, Zijie Chen, Yurong Li, Meijing Fang, Longji Shen, Yilong Su, Odin Zhang, Qinghan Wang, Qun Su, Jike Wang, Tingjun Hou, Yu Kang   +11 more
wiley   +1 more source

Isometries of Spacetimes Without Observer Horizons. [PDF]

Commun Math Phys
García-Heveling L, Zeghib A.
europepmc   +1 more source

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

Advanced 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, Waleed Mohammed, Dierk Raabe   +2 more
wiley   +1 more source

Artificial neural network paradigm of magneto-thermal behavior in tangent hyperbolic hybrid-nanofluid flow. [PDF]

Sci Rep
Athar T, Qureshi H, Muhammad T.
europepmc   +1 more source

Boundary conditions for hyperbolic systems of partial differentials equations. [PDF]

J Adv Res, 2013
Guaily AG, Epstein M.
europepmc   +1 more source

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

Advanced 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, Xinlei Huang, Xiang Zhou, Dian Meng, Ziyue Qiao, Zhiyuan Yuan, Lixin Cheng   +6 more
wiley   +1 more source

Exact soliton, lump, and breather solutions of the (3 + 1)-dimensional Jimbo-Miwa equation via the bilinear neural network method. [PDF]

Sci Rep
Hussein HH, Mekawey H, Elsheikh A.
europepmc   +1 more source

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

Advanced 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, Yize Liu, Zhe Li, Tian Tian, Yuxuan Liao, Xue Feng, Yongzhuo Li, Kaiyu Cui, Fang Liu, Hao Sun, Wei Zhang, Yidong Huang   +11 more
wiley   +1 more source

Physics‐Constrained Constitutive Learning of Rate‐Limiting Timescales for Efficient Hydrogen‐Based Direct Reduction for Green Steel Making

Advanced Science, EarlyView.
A conversion‐resolved constitutive framework is developed for the hydrogen‐based direct reduction of iron oxide pellets. Effective reaction and transport timescales are inferred directly from measured trajectories and mapped against operating conditions, pellet architecture, and composition. The analysis reveals how late‐stage transport control emerges
Anurag Bajpai, Barak Ratzker, Pasquale Cavaliere, Dierk Raabe   +3 more
wiley   +1 more source

Multilayered hyperbolic Au/TiO₂ nanostructures for enhancing the nonlinear response around the epsilon-near-zero point. [PDF]

Beilstein J Nanotechnol
Araiza-Sixtos FA, Gomez-Robles M, Salas-Montiel R, Rangel-Rojo R.   +3 more
europepmc   +1 more source