Results 131 to 140 of about 111,877 (248)

Physics-based molecular fingerprints from spectral graph theory provide efficient geometry-aware measures of chemical similarity. [PDF]

Chem Sci
Toney JW, Farnood AY, Darouich S, Kulik HJ.   +3 more
europepmc   +1 more source

Broadening Hard‐Magnet Discovery Beyond Symmetry Constraints via Unified Effective Anisotropy

Advanced Science, EarlyView.
A unified effective‐anisotropy descriptor (Keff) extends hard‐magnet screening across all seven crystal systems, beyond the uniaxial restriction of conventional searches. Machine‐learning screening of 9320 known ferromagnets and diffusion‐model generation together yield 38 rare‐earth‐free or ‐lean candidates with DFT‐validated magnetic hardness (κ > 1),
Hojae Kim, Hyeondeok Shin, Kyungju Nam, Seunghyo Noh, Donghwi Kim, Yousung Jung   +5 more
wiley   +1 more source

scikit-fingerprints: A Python Library for Scikit-Learn-Compatible Molecular Fingerprints and Chemoinformatics. [PDF]

J Chem Inf Model
Adamczyk J, Staniszewski A.
europepmc   +1 more source

Engineering Microbial Particles for Next‐Generation Biomedical Platforms

Advanced Science, EarlyView.
Microbe‐derived particles (MDPs), which include extracellular vesicles, outer membrane vesicles, inclusion bodies, polysaccharide particles, and virus‐like particles, represent a rapidly expanding category of bioinspired nanomaterials. With their natural origin, intrinsic biocompatibility, and highly programmable functionality, MDPs serve as a ...
Yuting Li, Yunjie Lu, Ziyan Huang, Jianjiang Chen, Yanbin Liu, Lei Qin, Chao Wang, Yumin Wu   +7 more
wiley   +1 more source

An Efficient Biological Codon Recognition Reservoir Computing System Based on Low‐Energy Epitaxial Hf0.52Zr0.48O2 Ferroelectric Memristors

Advanced Science, EarlyView.
This work reports on epitaxially grown Hf0.52Zr0.48O2 ferroelectric memristors with high stability (high durability exceeding 108 cycles and a retention time exceeding 104 s for 16 states) and ultra‐low operating energy consumption (∼121 fJ). A memristor array‐based reservoir computing system is constructed and applied for the first time in the field ...
Ying Liu, Jikang Xu, Yongqing Jia, Wenxuan Wang, Weifeng Zhang, Biao Yang, Xiaobing Yan   +6 more
wiley   +1 more source

Beyond natural amino acids: extending immunogenicity risk assessment to modified peptides through chemical feature encoding. A case study on citrullination. [PDF]

Front Immunol
Cairoli M, Nielsen M, Betts C, Obrezanova O, De Maria L.   +4 more
europepmc   +1 more source

Near‐Unity Selectivity Inversion Between CO2 Electroreduction and H2 Evolution via Atomic Coordination Editing

Advanced Science, EarlyView.
Atomic coordination editing functions as an on/off switch that toggles single‐atom catalysts between CO2 electroreduction and hydrogen evolution. ABSTRACT Precise atomic coordination editing of single‐atom catalysts (SACs) provides an effective strategy to tune their electronic structures and catalytic selectivity. Yet, achieving near‐unity selectivity
Yukun Zhao, Yuanyuan He, Mengyu Duan, Peng Yin, Jinxing Chen, Xu Han, Jie Yang, Yulin Wang, Xingjie Fu, Shibo Xi, Chuncheng Chen, Jiong Lu   +11 more
wiley   +1 more source

BiotaPredictor: A machine learning framework for predicting drug depletion by the human gut microbiota. [PDF]

Gut Microbes
Naranjani B, McCoubrey LE, Borde A, Hulthe G, Josefson M, Abrahmsén-Alami S, Abrahamsson B, Basit AW.   +7 more
europepmc   +1 more source

[Found Fingerprints]

, 1963
Photograph of fingerprints found in connection with the assassination of President ...
Dallas (Tex.). Police Department.
core  

Halide Perovskite: A Rich Source of Thermal Insulator

Advanced Science, EarlyView.
Halide perovskites exhibit ultralow thermal conductivity driven by intrinsic lattice softness and strong anharmonicity, falling below conventional defect‐engineering limits. Weak metavalent bonding, A‐site rattling, and dynamic octahedral tilting drive phonon scattering to the Ioffe–Regel limit, where wave‐like tunneling replaces particle‐like ...
Haolin Ye, Bangzhi Ge, Yuan Yu, Chongjian Zhou   +3 more
wiley   +1 more source