Results 251 to 260 of about 152,300 (264)

UniMR: A Plug‐and‐Play Framework of Automated Molecular Recognition for Scanning Tunneling Microscopy

Advanced Science, EarlyView.
UniMR, a training‐free framework for automated molecular recognition in STM images. By integrating adaptive feature selection with CLIP embeddings and Gaussian Mixture Modeling, UniMR achieves robust performance across diverse molecular systems and low‐resolution conditions.
Ziqiang Cao, Lingyin Zhang, Bingzheng Wu, Haonan Chen, Junhao Sun, Linghao Yan, Wenfei Li, Yangyang Wu, Zhifang Wang, Qigang Zhong, Lifeng Chi   +10 more
wiley   +1 more source

Accurate Identification of Protein Binding Sites for All Drug Modalities Using ALLSites

Advanced Science, EarlyView.
ALLSites is a unified sequence‐based framework for identifying proteome‐wide binding sites across all drug modalities. It integrates a gated convolutional network with a transformer architecture to capture residue interactions directly from the sequence.
Minjie Mou, Mingkun Lu, Zhimeng Zhou, Yanlin Ren, Xinyuan Yu, Ziqi Pan, Yuan Zhou, Hao Yang, Lingyan Zheng, Shukai Gu, Yang Zhang, Wei Hu, Fengcheng Li, Haibin Dai, Feng Zhu   +14 more
wiley   +1 more source

RAG-Enhanced Open SLMs for Hypertension Management Chatbots. [PDF]

J Med Syst
Aguzzi G, Magnini M, Farahmand A, Ferretti S, Pengo MF, Montagna S.   +5 more
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

An intelligent guided troubleshooting method for aircraft based on HybirdRAG. [PDF]

Sci Rep
Xie X, Tang X, Gu S, Cui L.
europepmc   +1 more source

Machine Learning Methods for Ranking in Information Retrieval: When LambdaRank Gradient Incoherency Leads to Unfair Training

Marcuzzi, Federico, Lucchese, Claudio, Orlando, Salvatore   +2 more
openalex   +1 more source

Measuring Chemical LLM robustness to molecular representations: a SMILES variation-based framework. [PDF]

J Cheminform
Ganeeva V, Khrabrov K, Kadurin A, Tutubalina E.   +3 more
europepmc   +1 more source

Don't Stop Me Now, `Cause I'm Having a Good Time Screening: Evaluation of Stopping Methods for Safe Use of Priority Screening in Systematic Reviews. [PDF]

Cochrane Evid Synth Methods
Repke T, Tinsdeall F, Danilenko D, Graziosi S, Müller-Hansen F, Schmidt L, Thomas J, van Valkenhoef G.   +7 more
europepmc   +1 more source

Contrastive learning enhanced retrieval-augmented few-shot framework for multi-label patent classification. [PDF]

PLoS One
Zheng W, Li X, Cui G, Chen S.
europepmc   +1 more source