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RESEARCH PAPER · Journal of Chemical Information and Modeling · 2022

Unleashing the Power of Knowledge Extraction from Scientific Literature in Catalysis

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Unleashing the Power of Knowledge Extraction from Scientific Literature in CatalysisOriginalLess is More: A Prototypical Framework for Efficient Few-Shot Named Entity Recognition3Mechanism to model: a physical organic chemistry approach to reaction prediction14Data Mining and Graph Network Deep Learning for Band Gap Prediction in Crystalline Borate Materials18Achieving Digital Catalysis: Strategies for Data Acquisition, Storage and Use37Achieving Digital Catalysis: Strategies for Data Acquisition, Storage and Use6Artificial intelligence and computational chemistry: a new perspective for electroplating-surface-interface research2OSPAR: A Corpus for Extraction of Organic Synthesis Procedures with Argument Roles4Research activities in the dielectric ceramics: information from data mining in literature0Using Intelligent Methods to Determine the Presence of Counterfeits in Meat Products0Compound Classification and Consideration of Correlation with Chemical Descriptors from Articles on Antioxidant Capacity Using Natural Language Processing2Extracting recalcitrant redox data on fluorophores to pair with optical data for predicting small-molecule, ionic isolation lattices2Generating knowledge graphs through text mining of catalysis research related literature12Insights into the Development of Electrocatalysts Based on Information Extracted from Literatures Using Natural Language Processing1Data Analytics for Catalysis Predictions: Are We Ready Yet?5Dielectric Ceramics Database Automatically Constructed by Data Mining in the Literature3A critical reflection on attempts to machine-learn materials synthesis insights from text-mined literature recipes16Decoding the Essence of Scientific Knowledge Entity Extraction: An Innovative MRC Framework with Semantic Contrastive Learning and Boundary Perception5From text to insight: large language models for chemical data extraction142Recent developments in the use of machine learning in catalysis: A broad perspective with applications in kinetics68Exploring the development of electrocatalysts through an automated comprehensive literature review using NLP0Rapid Adaptation of Chemical Named Entity Recognition Using Few-Shot Learning and LLM Distillation14From pages to patterns: Towards extracting catalytic knowledge from structure and text for transition-metal complexes and metal-organic frameworks6Knowledge graphs in heterogeneous catalysis: Recent advances and future opportunities7Use of Large Language Models for Extracting and Analyzing Data from Heterogeneous Catalysis Literature17Intelligent Mining of Infrared Spectral Data based on Multimodal Information Extraction of Catalytic Reaction in Scientific Literature0Fine-Tuning Large Language Models for the Efficient and Concurrent Extraction of Fuel Properties0A natural language processing to causality framework for robust knowledge extraction of CO₂ hydrogenation with batch effect control0

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  1. Less is More: A Prototypical Framework for Efficient Few-Shot Named Entity Recognition

    Lecture notes in computer science · 2023-01-01

    Yue Zhang, Hui Fang

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  2. Mechanism to model: a physical organic chemistry approach to reaction prediction

    Chemical Communications · 2023-01-01

    Jolene P. Reid, Isaiah O. Betinol, Yutao Kuang

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  3. Data Mining and Graph Network Deep Learning for Band Gap Prediction in Crystalline Borate Materials

    Inorganic Chemistry · 2023-03-08

    Ruihan Wang, Yeshuang Zhong, Xuehua Dong, Meng Du, Haolun Yuan, Yurong Zou, Xin Wang, Zhien Lin, Dingguo Xu

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  4. Achieving Digital Catalysis: Strategies for Data Acquisition, Storage and Use

    Angewandte Chemie International Edition · 2023-05-31

    Clara Patricia Marshall, Julia Schumann, Annette Trunschke

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  5. Achieving Digital Catalysis: Strategies for Data Acquisition, Storage and Use

    Angewandte Chemie · 2023-05-31

    Clara Patricia Marshall, Julia Schumann, Annette Trunschke

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  6. Artificial intelligence and computational chemistry: a new perspective for electroplating-surface-interface research

    Scientia Sinica Chimica · 2023-08-16

    Xiaohui Yang, Pei-Bin Kang, Fan-Jie Xu, Yucheng Jin, Yuhang Tang, Yan-Yi Su, Jiang-Pen Qiu, Jun Jie Cheng

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  7. OSPAR: A Corpus for Extraction of Organic Synthesis Procedures with Argument Roles

    Journal of Chemical Information and Modeling · 2023-10-20

    Kojiro Machi, Seiji Akiyama, Yuuya Nagata, Masaharu Yoshioka

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  8. Research activities in the dielectric ceramics: information from data mining in literature

    Research Square · 2023-11-08

    wenxu zhang, Xiaochao Wang

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  9. Using Intelligent Methods to Determine the Presence of Counterfeits in Meat Products

    International Conference on Control Systems, Mathematical Modeling, Automation and Energy Efficiency (SUMMA) · 2023-11-08

    Alexander Afanasievich Bolshakov, Renata Kallimulina, Marina A. Nikitina

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  10. Compound Classification and Consideration of Correlation with Chemical Descriptors from Articles on Antioxidant Capacity Using Natural Language Processing

    Journal of Chemical Information and Modeling · 2023-12-20

    Yuto Matsumoto, Hiroaki Gotoh

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  11. Extracting recalcitrant redox data on fluorophores to pair with optical data for predicting small-molecule, ionic isolation lattices

    Digital Discovery · 2024-01-01

    Michaela K. Loveless, Minwei Che, Alec J. Sanchez, Vikrant Tripathy, Bo Wegge Laursen, Sudhakar V. Pamidighantam, Krishnan Raghavachari, Amar H. Flood

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  12. Generating knowledge graphs through text mining of catalysis research related literature

    Catalysis Science & Technology · 2024-01-01

    Alexander S. Behr, Diana Chernenko, Dominik Koßmann, Arjun Neyyathala, Schirin Hanf, Stephan A. Schunk, Norbert Kockmann

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  13. Insights into the Development of Electrocatalysts Based on Information Extracted from Literatures Using Natural Language Processing

    SSRN Electronic Journal · 2024-01-01

    Na Qin, Lai Wei, Haibiao Chen

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  14. Data Analytics for Catalysis Predictions: Are We Ready Yet?

    ACS Catalysis · 2024-05-08

    Difan Zhang, Brett A. Smith, Haiyi Wu, Manh‐Thuong Nguyen, Roger J. Rousseau, Vassiliki‐Alexandra Glezakou

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  15. Dielectric Ceramics Database Automatically Constructed by Data Mining in the Literature

    Journal of Chemical Information and Modeling · 2024-07-23

    Xiaochao Wang, Wanli Zhang, Wanli Zhang, Wenxu Zhang, Wenxu Zhang

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  16. A critical reflection on attempts to machine-learn materials synthesis insights from text-mined literature recipes

    Faraday Discussions · 2024-08-13

    Wenhao Q. Sun, Nicholas David

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  17. Decoding the Essence of Scientific Knowledge Entity Extraction: An Innovative MRC Framework with Semantic Contrastive Learning and Boundary Perception

    ACM/IEEE Joint Conference on Digital Libraries · 2024-12-16

    Yang Li, Mengting Zhang, Zhixiong Zhang, Yajiao Wang

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  18. From text to insight: large language models for chemical data extraction

    Chemical Society Reviews · 2024-12-20

    Mara Schilling-Wilhelmi, Martiño Ríos-García, Sherjeel Shabih, M.V. Gil, Santiago Miret, Christoph T. Koch, Jose Antonio Marquez, Kevin Maik Jablonka

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  19. Recent developments in the use of machine learning in catalysis: A broad perspective with applications in kinetics

    Chemical Engineering Journal · 2025-02-20

    Leandro Goulart de Araujo, Léa Vilcocq, Pascal Fongarland, Yves Schuurman

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  20. Exploring the development of electrocatalysts through an automated comprehensive literature review using NLP

    Journal of Alloys and Compounds Communications · 2025-02-24

    Na Qin, Lei Liu, Lai Wei, Haibiao Chen

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  21. Rapid Adaptation of Chemical Named Entity Recognition Using Few-Shot Learning and LLM Distillation

    Journal of Chemical Information and Modeling · 2025-05-01

    Yue Zhang, Dionisios G. Vlachos, Dongxia Liu, Hui Fang

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  22. From pages to patterns: Towards extracting catalytic knowledge from structure and text for transition-metal complexes and metal-organic frameworks

    Journal of Catalysis · 2025-05-02

    Aditya Nandy

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  23. Knowledge graphs in heterogeneous catalysis: Recent advances and future opportunities

    Chinese Journal of Chemical Engineering · 2025-07-02

    Raúl Díaz, Hongliang Xin

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  24. Use of Large Language Models for Extracting and Analyzing Data from Heterogeneous Catalysis Literature

    ACS Catalysis · 2025-08-11

    Benjamin W. Walls, Suljo Linic

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  25. Intelligent Mining of Infrared Spectral Data based on Multimodal Information Extraction of Catalytic Reaction in Scientific Literature

    SSRN Electronic Journal · 2026-01-01

    Yue Jiang, Xinyu Bai, Li Liu, Ali Ahemaiti, Yuan Liu, Shuwen Yu

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  26. Fine-Tuning Large Language Models for the Efficient and Concurrent Extraction of Fuel Properties

    Applied Sciences · 2026-03-29

    Abdulelah S. Alshehri

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  27. A natural language processing to causality framework for robust knowledge extraction of CO₂ hydrogenation with batch effect control

    npj Computational Materials · 2026-04-03

    Weihang Xu, LiHua Bai, Ji Qi, XiaoYing Sun, Bairan Wang, Zhen Zhao, B. Ya. Li

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