Results 201 to 210 of about 13,406 (301)

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

Large-<i>n</i> asymptotics for Weil-Petersson volumes of moduli spaces of bordered hyperbolic surfaces. [PDF]

Commun Math Phys
Hide W, Thomas J.
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

Generalized Surface Conductivity Model for Anisotropic Phonon Polaritons in van der Waals Slabs. [PDF]

Nanophotonics
Chen S, Sun Y, Wu J, Fu C, Hu G.
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

Exploring novel soliton, wave solutions, and modulation instability analysis for the (3+1)-dimensional KP-SKR equation using the improved generalized Riccati equation mapping approach. [PDF]

Sci Rep
Kamel NM, Ahmed HM, Rabie WB.
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

A Numerical Investigation on the Effect of Size and Volume Fraction of Red Blood Cells in a Microchannel with Sudden Expansion. [PDF]

Micromachines (Basel)
Sezer C, Kaya K, Tabatabaei Malazi M, Dalkılıç AS.   +3 more
europepmc   +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

On an hyperbolic analog of the Ludolph's number [PDF]

Časopis pro pěstování matematiky a fysiky, 1887
openaire   +1 more source