Results 191 to 200 of about 63,549 (264)

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

Quantifying Magnetic Anisotropy of Ferroelectric Fe(II) Square‐Pyramidal Systems Using Torque Magnetometry

Advanced Science, EarlyView.
Five‐coordinate, square‐pyramidal Fe(II) complexes adopting polar, non‐centrosymmetric crystal structures exhibit exceptionally large easy‐axis magnetic anisotropy. Ligand‐driven distortions critically control the anisotropy, and the dielectric, Polarization vs Elecric field and piezo response studies confirm intrinsic polarization, positioning these ...
Vijaya Thangaraj, Gemma K. Gransbury, Deepanshu Chauhan, Dipanti Borah, Gopalan Rajaraman, Mauro Perfetti, Maheswaran Shanmugam   +6 more
wiley   +1 more source

A Complex Tension Origin for Dilaton Gravity: Jordan Stiffness and Logarithmic Einstein Dynamics. [PDF]

Entropy (Basel)
Vaillant M, Scott TC.
europepmc   +1 more source

An Energy Autonomous Microneedle Array‐Based Sensing System for Continuous Biomarker Monitoring

Advanced Science, EarlyView.
This work presents an innovative self‐powered wearable biosensor system for real‐time monitoring of multiple biomarkers in interstitial fluid. The device integrates stainless steel‐based minimally invasive microneedles with ion‐selective membranes, enabling simultaneous Na+, K+, Ca2+, pH, and glucose detection.
Arnab Pal, Kai‐Po Fan, Sheng‐Chun Hung, Jaba Roy Chowdhury, Jun‐Hsun Chung, Meenakshi Ray, Hsiang‐Yun Hsu, Fu‐Cheng Kao, Kuei‐Lin Liu, Zong‐Hong Lin   +9 more
wiley   +1 more source

Identifying Alzheimer's Disease Progression Subphenotypes Via a Graph-based Framework Using Electronic Health Records. [PDF]

J Healthc Inform Res
Huang Y, Xu J, Fan Z, Hu Y, He X, Chen A, Liu Y, Yin R, Guo J, DeKosky ST, Jaffee M, Zhou M, Su C, Wang F, Guo Y, Bian J.   +15 more
europepmc   +1 more source

Topology‐Aware Deep Learning on Higher‐Order Structures for Drug Response Prediction

Advanced Science, EarlyView.
We present TopDr, a topology‐aware deep learning framework that encodes both drugs and cell lines as multiscale simplicial complexes, capturing interactions at the 0‐, 1‐, and 2‐simplex levels. By jointly integrating local higher‐order neighborhoods and global topological structures, TopDr generates enriched representations for sensitivity prediction ...
Cong Shen, Guancen Lin, Chuan‐Shen Hu, Yong Wang   +3 more
wiley   +1 more source

UniqueNOSD: a novel framework for NoSQL over SQL databases. [PDF]

J Big Data
Gidado AA, Ezeife CI.
europepmc   +1 more source

How Advanced Artificial Intelligence Technologies Shape Drug–Drug and Drug–Target Interaction Modeling

Advanced Science, EarlyView.
This review explores the convergence of artificial intelligence technologies in modeling drug–drug and drug–target interactions. By evaluating advanced feature engineering, architectural innovations, and learning paradigms reveals shared evolutionary trends and critical challenges, such as cold‐start settings and shortcut learning.
Xin Sun, Tong Wang
wiley   +1 more source

GNN-MA: Soft Molecular Alignment with Cross-Graph Attention for Ligand-Based Virtual Screening. [PDF]

Molecules
Liu K, Wei D, Shi R, Zhou Z.
europepmc   +1 more source

Full‐Stack Architectures for Intelligent Brain‐Computer Interfaces

Advanced Science, EarlyView.
System‐level overview of brain–computer interfaces (BCIs), illustrating the integration of neural signal acquisition, wireless transmission, and adaptive decoding. Advanced electrode, tissue interfaces, energy‐efficient communication, and robust algorithms collectively enable stable signal quality, real‐time processing, and closed‐loop operation ...
Hee Kyu Lee, Hyun Bin Kim, Sang Uk Park, Janghoon Joo, Jinhong Min, Geumbee Lee, Joohoon Kang, Hyoyoung Jeong, Jae‐Young Yoo, Sang Min Won   +9 more
wiley   +1 more source