Results 231 to 240 of about 19,326 (285)

Extreme heat exacerbates atmospheric ozone pollution: Holistic data-based causal investigation in China. [PDF]

iScience
Xia R, Qi Q, Yang J, Li B, Li Y, Morse AP, Li T, Mu Q.   +7 more
europepmc   +1 more source

De Novo Multi‐Mechanism Antimicrobial Peptide Design via Multimodal Deep Learning

Advanced Science, EarlyView.
Current AI‐driven peptide discovery often overlooks complex structural data. This study presents M3‐CAD, a generative pipeline that leverages 3D voxel coloring and a massive database of over 12 000 peptides to capture nuanced physicochemical contexts.
Xiaojuan Li, Haifan Gong, Yue Wang, Yinuo Zhao, Lixiang Li, Peijing Bao, Qingzhou Kong, Jialu Fu, Boyao Wan, Yumeng Zhang, Jinghui Zhang, Jiekun Ni, Zhongxue Han, Xueping Nan, Kunping Ju, Longfei Sun, Yuerui Ma, Huijun Chang, Mengqi Zheng, Yanbo Yu, Xiaoyun Yang, Xiuli Zuo, Haina Wang, Yanqing Li   +23 more
wiley   +1 more source

Quasi-Power Law Ensembles: Nonextensive Statistics or Superstatistics. [PDF]

Entropy (Basel)
Rybczyński M, Wilk G, Włodarczyk Z.
europepmc   +1 more source

High‐Fidelity Synthetic Data Replicates Clinical Prediction Performance in a Million‐Patient Diabetes Cohort

Advanced Science, EarlyView.
This study generates high‐fidelity synthetic longitudinal records for a million‐patient diabetes cohort, successfully replicating clinical predictive performance. However, deeper analysis reveals algorithmic biases and trajectory inconsistencies that escape standard quality metrics. These findings challenge current validation norms, demonstrating why a
Francisco Ortuño, Víctor M. de la Oliva Roque, Javier‐Ignacio Ramirez‐Lopez, David P. Kreil, Joaquín Dopazo, Carlos Loucera   +5 more
wiley   +1 more source

Analysis of a household-scale model for the invasion of Wolbachia into a resident mosquito population. [PDF]

J Math Biol
Barlow A, Penington S, Adams B.
europepmc   +1 more source

Engineering Compact Base Editors by AlphaFold‐Guided Mutation Scan and Escherichia coli‐Based Tri‐Selection

Advanced Science, EarlyView.
A miniaturized deaminase SsdAtox was scanned with AlphaFold to identify DNA binding pocket hot spots. Site‐saturation mutagenesis at gatekeeper residue K31 yielded ten‐fold activity enhancement. Trinity Screen, an E. coli‐based three‐in‐one platform selecting for high activity and reduced double‐strand breaks, enabled combinatorial evolution at DNA ...
Ryeo Gang Son, Goeun Kim, Jungjoon K. Lee   +2 more
wiley   +1 more source

Toward a thermodynamic stability order of the phosphorus allotropes. [PDF]

RSC Adv
Bonometti L, Sansone G, Rivera-Almazo M, Usvyat D, Karttunen AJ, Maschio L.   +5 more
europepmc   +1 more source

Unveil Fundamental Graph Properties for Neural Architecture Search

Advanced Science, EarlyView.
This paper proposes NASGraph, a graph‐based framework that represents neural architectures as graphs whose structural properties determine performance. By revealing structure–performance relationships, NASGraph enables efficient neural architecture search with significantly reduced computation.
Zhenhan Huang, Tejaswini Pedapati, Pin‐Yu Chen, Chunheng Jiang, Jianxi Gao   +4 more
wiley   +1 more source

Quantifying Knowledge Production Efficiency with Thermodynamics: A Data-Driven Study of Scientific Concepts. [PDF]

Entropy (Basel)
Chumachenko A, Buttliere B.
europepmc   +1 more source

Machine Learning for Green Solvents: Assessment, Selection and Substitution

Advanced Science, EarlyView.
Environmental regulations have intensified demand for green solvents, but discovery is limited by Solvent Selection Guides (SSGs) that quantify solvent sustainability. Training a machine learning model on GlaxoSmithKline SSG, a database of sustainability metrics for 10,189 solvents, GreenSolventDB is developed. Integrated with Hansen solubility metrics,
Rohan Datta, Janhavi Nistane, Abhishek Sose, Harikrishna Sahu, Rampi Ramprasad   +4 more
wiley   +1 more source