Results 231 to 240 of about 241,296 (309)

Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation

Advanced Intelligent Discovery, EarlyView.
We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley   +1 more source

Exploring omics strategies for drug discovery from <i>Actinomycetota</i> isolated from the marine ecosystem. [PDF]

Front Pharmacol
Narsing Rao MP, Quadri SR, Sathish M, Quach NT, Li WJ, Thamchaipenet A.   +5 more
europepmc   +1 more source

Deep Learning‐Assisted Design of Mechanical Metamaterials

Advanced Intelligent Discovery, EarlyView.
This review examines the role of data‐driven deep learning methodologies in advancing mechanical metamaterial design, focusing on the specific methodologies, applications, challenges, and outlooks of this field. Mechanical metamaterials (MMs), characterized by their extraordinary mechanical behaviors derived from architected microstructures, have ...
Zisheng Zong, Pu Wen, Zhiping Chai, Dunxuan Wu, Han Ding, Zhigang Wu   +5 more
wiley   +1 more source

Tracing the geopolitical influences on the morphological and functional transformation in Guangdong merchant ships: Knowledge mining from the Ming and Qing maritime archives. [PDF]

PLoS One
Ao J, Zhao M, Li W, Feng S, Ye Z, Xu Z, Ji S.   +6 more
europepmc   +1 more source

Large Language Model in Materials Science: Roles, Challenges, and Strategic Outlook

Advanced Intelligent Discovery, EarlyView.
Large language models (LLMs) are reshaping materials science. Acting as Oracle, Surrogate, Quant, and Arbiter, they now extract knowledge, predict properties, gauge risk, and steer decisions within a traceable loop. Overcoming data heterogeneity, hallucinations, and poor interpretability demands domain‐adapted models, cross‐modal data standards, and ...
Jinglan Zhang, Xinyi Chen, Xu Ye, Yulin Yang, Bin Ai   +4 more
wiley   +1 more source

Revolutionizing microbial treasure troves: innovative strategies for natural products discovery. [PDF]

Nat Prod Bioprospect
Li YJ, Qiu MH, Peng XR.
europepmc   +1 more source

Identification of Exhaled Volatile Organic Compounds Biomarkers for Lung Cancer Under Data‐Limited Conditions Using Data Augmentation and Multi‐View Feature Selection

Advanced Intelligent Discovery, EarlyView.
This work introduces a novel framework for identifying non‐small cell lung cancer biomarkers from hundreds of volatile organic compounds in breath, analyzed via gas chromatography‐mass spectrometry. This method integrates generative data augmentation and multi‐view feature selection, providing a stable and accurate solution for biomarker discovery in ...
Guancheng Ren, Bohao Liu, Zhiyuan Qu, Xue Jiang, Heng Zhao, Danyao Qu, Ruizhi Ning, Chen Su, Taoping Liu, Guangjian Zhang, Weiwei Wu   +10 more
wiley   +1 more source

Methane-munching symbionts fuel sea spiders in the deep sea. [PDF]

Proc Natl Acad Sci U S A
Dubilier N.
europepmc   +1 more source

Advanced Experiment Design Strategies for Drug Development

Advanced Intelligent Discovery, EarlyView.
Wang et al. analyze 592 drug development studies published between 2020 and 2024 that applied design of experiments methodologies. The review surveys both classical and emerging approaches—including Bayesian optimization and active learning—and identifies a critical gap between advanced experimental strategies and their practical adoption in ...
Fanjin Wang, Anthony Harker, Mohan Edirisinghe, Maryam Parhizkar   +3 more
wiley   +1 more source

Regional zenith tropospheric delay prediction using DBO-optimized CNN-LSTM with multihead attention. [PDF]

Sci Rep
Yang R, Yang X, Xie S, Yu X.
europepmc   +1 more source