Results 171 to 180 of about 25,445 (266)

Diffusion‐Based Generative Model With Scaffold‐Hopping Strategy Yields Highly Potent Bioactive Molecules

Advanced Science, EarlyView.
SMarT‐Diff introduces a multi‐objective generative paradigm that integrates scaffold hopping with structure‐aware scoring to enable controlled exploration beyond the training distribution. The framework consistently balances drug‐likeness, synthesizes accessibility and bioactivity, yielding chemically diverse candidates with enhanced properties.
Yuwei Yang, Xiaoqing Gong, Shukai Gu, Jing Li, Bo Liu, Yanan Tian, Qianqian Zhang, Xiaojun Yao, Huanxiang Liu   +8 more
wiley   +1 more source

Comparing Interface Conditions for a 3D-0D Multiscale Interface Coupling With Applications in Tissue Perfusion. [PDF]

Int J Numer Method Biomed Eng
Bociu L, Broussard M, Guidoboni G, Prada D, Strikwerda S.   +4 more
europepmc   +1 more source

From Label‐Free Multiphoton Imaging to Pathological Reports: A Vision‐Language Breast Cancer Margin Pathological Diagnosis System

Advanced Science, EarlyView.
MarginPath is a novel vision‐language system that automates breast cancer margin assessment using a single label‐free multiphoton microscopy image. By integrating tumor‐associated collagen signatures with virtual H&E imaging, it generates accurate margin heatmaps and comprehensive diagnostic reports.
Shu Wang, Jingze Su, Xiahui Han, Deyong Kang, Xiao Zhang, Fei Xu, Changzu Liu, Junlin Pan, Xingfu Wang, Qiaohui Zhan, Aimin Wang, Feng Huang, Heping Cheng, Wenxi Liu, Ruolan Lin, Jianxin Chen   +15 more
wiley   +1 more source

Refined modeling and coupled vibration analysis of the sleeper lifting device in long span bridges under temperature and train dynamics. [PDF]

Sci Rep
Zhang Z, Zhang Y, Mao J, Khan M, Wang K, Jin L, Xu S, Yu Z.   +7 more
europepmc   +1 more source

Unconditionally stable method and numerical solution of the hyperbolic phase-field crystal

Physical Review E, 88, 2013
P.K. Galenko, H. Gomez, N.V. Kropotin, K.R. Elder   +3 more
openaire  

Electrode‐Engineered Dual‐Mode Multifunctional Lead‐Free Perovskite Optoelectronic Memristors for Neuromorphic Computing

Advanced Electronic Materials, EarlyView.
A lead‐free perovskite memristive solar cell structure that call emulate both synaptic and neuronal functions controlled by light and electric fields depending on top electrode type. ABSTRACT Memristive devices based on halide perovskites hold strong promise to provide energy‐efficient systems for the Internet of Things (IoT); however, lead (Pb ...
Michalis Loizos, Konstantinos Rogdakis, Konstantinos Chatzimanolis, Katerina Anagnostou, Emmanuel Kymakis   +4 more
wiley   +1 more source

Stability, bifurcation, and large-amplitude vibration analysis of a symmetric magnetic spherical pendulum. [PDF]

Sci Prog
Big-Alabo A, Chuku MT.
europepmc   +1 more source

Safety of Sodium‐Ion Batteries: Evaluation and Perspective from Component Materials to Cells, Modules, and Packs

Advanced Energy Materials, EarlyView.
This review provides a bottom‐up evaluation of sodium‐ion battery safety, linking material degradation mechanisms, cell engineering parameters, and module/pack assembly. It emphasizes that understanding intrinsic material stability and establishing coordinated engineering control across hierarchical levels are vital for preventing degradation coupling ...
Won‐Gwang Lim, Seoa Kim, Erik A. Wu, Darren H. S. Tan, Shawn Peng, Xiaolin Li   +5 more
wiley   +1 more source

Transport of degradable contaminants in a composite vertical cut-off wall under nonlinear adsorption conditions. [PDF]

Sci Rep
Lin H, Ouyang S, Huang J, Li Q.
europepmc   +1 more source

Disorder‐Driven Fast Na+ Transport: From Crystalline to Amorphous Networks in the Mixed‐Anion NaTaOxCl6−2x Oxychlorides

Advanced Energy Materials, EarlyView.
Oxygen substitution in NaTaOxCl6‐2x drives structural evolution from isolated [TaCl6]– octahedra, through oxygen‐bridged [Ta2OCl10]2– dimers, toward extended trans‐[TaO2Cl4]3– chain‐like arrangements. At intermediate compositions, zero‐dimensional corner‐sharing motifs are proposed to create a flexible, disordered framework that peaks ionic ...
Justin Leifeld, Abigail C. Parsons, Alexandra Morscher, Xabier Martinez de Irujo‐Labalde, Marvin A. Kraft, Oskar G. Soulas, Bibek Samanta, Wiebke Zielasko, Neelam Yadav, Kyra Strotmann, Niina Jalarvo, Bruno V. M. Rodrigues, Adam Slabon, Philipp Adelhelm, Michael Ryan Hansen, David O. Scanlon, Wolfgang G. Zeier, Alexander G. Squires   +17 more
wiley   +1 more source