Papers citing From text to insight: large language models for chemical data extraction
Large Language Models (LLMs) for Materials Design
Advanced Functional Materials · 2025-12-16
Lei Zhang, Zhaorui Liu, Ben Ni, Quan Wang
Read original paper ↗ ·MaterialBrain: High-Performance Material Synthesis Extraction via Human–AI-Curated Few-Shot Large Language Models
Journal of Chemical Information and Modeling · 2025-12-25
Yi Yang, Zhimeng Liu, Wei Wu, Yuyang Zhang, Yuyang Zhang, Hongbo Zhang, Jing Lin, Siyu Wu, Zihan Chen, Ye Sun, Ruiming Li, Nan Wang, Rui Wang, Zipeng Liu, Huobin Tan, Lei Shi, Yue Zhang, Yue Zhang, Hongyi Gao, Ge Wang
Read original paper ↗ ·A fine-tuned large language model approach for compound information extraction
Mathematical Foundations of Computing · 2026-01-01
Xixin Huang, Ziheng Ren, Nan Wang, Weiheng Lin, Jiayi Xu, Yuqing Ni
Read original paper ↗ ·AI-Powered Standard Operating Procedure Generation and Optimization Using Large Language Models for Chemical Laboratory Applications
IEEE Access · 2026-01-01
Roxane Elias Mallouhy, Hissah AlQahtani, Sheikha Lardhi
Read original paper ↗ ·An Automated Extraction System for Material Chemistry Experimental Protocols
Lecture notes in computer science · 2026-01-01
Fan Yang, F. Xu, H. Liang, Xianghui Fan, Linjiang Chen, Kun Zhang, Xin Li, Le Wu, Shijin Wang
Read original paper ↗ ·Chat-RFB: a flow battery chat system leveraging knowledge graphs and large language models
Digital Discovery · 2026-01-01
Haotian Wang, Xuefeng Bai, Zhiling Zheng, Xin Zhang, Ruipeng Jin, Hao-Tian An, Zheng-He Xie, Xiu‐Liang Lv, Jian-Rong Li
Read original paper ↗ ·Clever materials: when models identify good materials for the wrong reasons
Faraday Discussions · 2026-01-01
Kevin Maik Jablonka
Read original paper ↗ ·Domain-adapted discovery of PET depolymerisation routes using in-house curated scientific literature
Chemical Communications · 2026-01-01
Dawn Sivan, Saima Zafar, K Satheeshkumar, T K Manoj Kumar, Kohbalan Moorthy, Izan Izwan Misnon, Chun-Chen Yang, Rajan Jose
Read original paper ↗ ·From Regulatory Text to Structured Data: A Domain-Specific LLM Framework for Extracting Hydropower Operational Constraints
SSRN Electronic Journal · 2026-01-01
Faisal Bin Ashraf, Hong‐Jun Yoon, Carly H. Hansen, Thomas A. Ruggles, Debjani Singh, Esther S. Parish, Shih‐Chieh Kao
Read original paper ↗ ·From Regulatory Text to Structured Data: A Domain-Specific LLM Framework for Extracting Hydropower Operational Constraints
SSRN Electronic Journal · 2026-01-01
Faisal Bin Ashraf, Hong‐Jun Yoon, Carly H. Hansen, Thomas A. Ruggles, Debjani Singh, Esther S. Parish, Shih‐Chieh Kao
Read original paper ↗ ·Interpretable, low-compute machine learning integrating experimental and catalytic descriptors for sustainable CO 2 electroreduction
Green Chemistry · 2026-01-01
Brianna R. Farris, Josh Meckstroth, Kevin C. Leonard
Read original paper ↗ ·Journal research data policies in materials science
Digital Discovery · 2026-01-01
Lukas Hörmann, Hemanadhan Myneni, Rwayda Kh. S. Al‐Hamd, Katarina Batalović, Silvia Bonfanti, Federico Grasselli, S. Gražulis, Bahattin Koç, Konstantinos Konstantinou, Ivor Lončarić, Nataliya Lopanitsyna, José Manuel Oliveira, Paolo Pegolo, Patrícia Ramos, Kevin Rossi, Sebastian Patrick Schwaminger, Edith Simmen, Milica Todorović, Markus Stricker, Jonathan Schmidt
Read original paper ↗ ·MOFReasoner: think like a scientist—a reasoning large language model via knowledge distillation
Digital Discovery · 2026-01-01
Xuefeng Bai, Zhiling Zheng, Xin Zhang, Hao-Tian Wang, Rui Yang, Jian‐Rong Li
Read original paper ↗ ·Research Progress of Machine Learning in Surfactant Performance Prediction and Design
Chinese Journal of Organic Chemistry · 2026-01-01
Guiping Zhang, Changhua Ding, Yong Guo, Yao Li, Xiaosong Xue
Read original paper ↗ ·SmartCIF: a context-aware multi-agent system for automated preprocessing and curation of MOF CIFs
Physical Chemistry Chemical Physics · 2026-01-01
Qixiang Zhang, Chen Zhang, Liwei Wang
Read original paper ↗ ·Toward self-driving laboratory 2.0 for chemistry and materials discovery
Materials Horizons · 2026-01-01
Heeseung Lee, Hyuk Jun Yoo, Hye Su Jang, Byeongho Park, Yang Jeong Park, Sang Soo Han
Read original paper ↗ ·Predictive Chemical Kinetic Modeling: Where We Succeed, Where We Struggle, and What Comes Next
ACS Engineering Au · 2026-01-06
Alon Grinberg Dana, Kevin M. Van Geem, Cavallotti Carlo, William H. Green
Read original paper ↗ ·A general LLM-powered text mining framework: Applied to extract high entropy alloys
Computational Materials Science · 2026-01-09
Haolun Yuan, Jun Zeng, Jie Zuo, Xin Wang, Dingguo Xu
Read original paper ↗ ·Towards Practical Ethics for AI
Intelligenza Artificiale · 2026-01-11
Abeer Dyoub, Francesca Alessandra Lisi, Stefania Costantini, Ivan Letteri, Giovanni De Gasperis, Chiara Gallese
Read original paper ↗ ·Applications of machine learning-based quantitative structure activity relationship (ML-QSAR) models in environmental science
Environmental Research · 2026-01-24
Chao Chen, Yujia Tan, Yawei Liu, Miaomiao Sun, Z. -L. Wang, Xiangyong Zheng, Zhemin Shen, Min Zhao
Read original paper ↗ ·Accelerating catalytic process optimization for water treatment via automated knowledge extraction and machine learning
Journal of Hazardous Materials · 2026-02-01
Siyuan Jiang, Ying Yang, Ziang Liu, Rui Yang, He Yan, Xiuwen Cheng
Read original paper ↗ ·General-Purpose Models for the Chemical Sciences: LLMs and Beyond
Chemical Reviews · 2026-02-05
Nawaf Alampara, Anagha Aneesh, Martiño Ríos-García, Adrian Mirza, Mara Schilling-Wilhelmi, Ali Asghar Aghajani, Meiling Sun, Gordan Prastalo, Kevin Maik Jablonka
Read original paper ↗ ·AI for materials: leading a new era in materials development
中国科学通报：英文版 · 2026-02-06
Xiuju Song, Tianhong Jing, Yixiong Feng, Kang Wang, Dinglong Yang, Shuyou Zhang, Jianrong Tan, Zhongfan Liu
Read original paper ↗ ·Machine learning unveils three layers of food complexity
npj Science of Food · 2026-02-06
Qinfei Ke, Jingzhi Zhang, Xin Huang, Xingran Kou, Dachuan Zhang
Read original paper ↗ ·Verifying LLM-extracted text with token alignment
bioRxiv (Cold Spring Harbor Laboratory) · 2026-02-10
A. Sina Booeshaghi, Aaron Streets
Read original paper ↗ ·Prompt Engineering Accelerates the Data‐Driven Discovery of Photocatalysts via an LLM‐Based Model Ensemble Strategy
Advanced Science · 2026-02-16
Dianyuan Li, Xichen Sun, Shaohua Sun, Runzhou Wang, Miaomiao Zhang, Meng Xiao, Yue Wang, Yuezhou Zhang
Read original paper ↗ ·DT-MIM: A network suitable for alloy microstructure evolution prediction and characterization
Journal of Materials Research and Technology · 2026-02-17
Ze Sheng Lu, Jianli Zhou, Jiahao Li, Ao Liu, Yuefei Zhang, Ze Zhang
Read original paper ↗ ·Boosting Computational Catalysis and Chemical Reactivity with Artificial Intelligence
Journal of the American Chemical Society · 2026-02-20
Konstantinos D. Vogiatzis, Clémence Corminbœuf, Ainara Nova, Kjell Jorner, Johannes Kästner, Markus Meuwly, Philippe Schwaller, Victor Böttcher, Μαρία Δρόσου, Edvin Fako, Hannes Hoppe, Žarko Ivković, Nestor M. Iwanojko, Dimitrios A. Pantazis, Stefan P. Schmid, Kalman Szenes, Auguste Tetenoire, Markus Reiher
Read original paper ↗ ·Use of Machine Learning and Large Language Models in Chemical Information Extraction
Annual Review of Chemical and Biomolecular Engineering · 2026-02-23
Yufan Chen, Yuxuan Zhang, Haifan Zhou, Ching Ting Leung, Hanyu Gao
Read original paper ↗ ·A family of large language models for materials research with insights into model adaptability in continued pretraining
Nature Machine Intelligence · 2026-02-27
Dhruv Kumar Ahlawat, Vaibhav Mishra, Sourabh Singh, Mohd Faiz Mohammad Zaki, Vaibhav Bihani, Hargun Singh Grover, Biswajit Mishra, Santiago Miret, Mausam, N. M. Anoop Krishnan
Read original paper ↗ ·DressingGraphRAG: A domain-specific research assistant integrating GraphRAG and LLMs for wound dressing research
Chinese Chemical Letters · 2026-03-01
Haodong Jiang, Hongjuan Jin, Miaomiao Zhang, Xiaohang Li, Kaixuan Lyu, Wei Deng, Dapeng Wang
Read original paper ↗ ·Large language model-based topic modeling for analyzing research trends in polymer science literature
Materials Today Communications · 2026-03-01
Yoshifumi Amamoto, Takaaki Ohnishi
Read original paper ↗ ·New Opportunities For the Integration of Artificial Intelligence With Materials Science: From Large Language Models to Embodied Large Models
Materials Genome Engineering Advances · 2026-03-01
Zhen Song, Yishuai Cai, Yadong Yu, Pan Xiang, Minglong Li, Zhe Liu, Mengyan Dai
Read original paper ↗ ·Unveiling the correlation between high-entropy alloy element systems and electrocatalytic activity
National Science Review · 2026-03-13
Xiangyi Shan, Furong Cai, Yuanhua Tu, Di Zhang, Yiyang Pan, Lunbo Chen, Jinhui Liang, Han Gao, Jianan Xu, H. C. Li, Jing Li, Erkang Wang, Min Zhou
Read original paper ↗ ·Mining Multimodal Fatigue Data Using Reasoning Foundation Models and Formalized Domain Knowledge
Integrating materials and manufacturing innovation · 2026-03-21
Jyoti Prakash Mohanty, Akhil Thomas, Tresa M. Pollock, Ali Riza Durmaz
Read original paper ↗ ·Sodium-ion Batteries: A comprehensive review of materials chemistry, interfacial challenges, and industrialization progress
Ionics · 2026-03-28
Xuexue Pan, Weiwei Li, Yating Zhou, Yitong Zhang, Wenwen Yang, Meijuan Zhong, Z. G. Li, Jingqi Chen, Yuanlin Xie, Xiaoyong Lin, Yajian Liu, Jiayi Xu, Xiaoyan Huang, Jiahong Chen, Caishan Lu, Yuyan Zhou, Ziyun Dai, Q. Liu, Rong Hu
Read original paper ↗ ·Democratizing AI‐Enhanced Experimental Optimization: An Accessible Workflow for Chemists
Chemistry - Methods · 2026-03-31
Nicholas N. Dahlen, Tori Z. Forbes
Read original paper ↗ ·schema-miner pro: Agentic AI for Ontology Grounding Over LLM-Discovered Scientific Schemas in a Human-in-the-Loop Workflow
Semantic Web · 2026-04-25
Sameer Sadruddin, Jennifer D’Souza, Eleni Poupaki, Alex Watkins, Bora Karasulu, Sören Auer, Adriaan J. M. Mackus, W. M. M. Kessels
Read original paper ↗ ·Toward the intelligent robotics era: Multimodal flexible haptic sensors for advanced perception systems
Progress in Materials Science · 2026-04-26
Sili Ding, Feng Xu, CHEN Jie, Siyu Liang, Hongjian Zhang, Wei Huang
Read original paper ↗ ·Transforming the cytokine literature into a resource for experimental analysis and discovery
bioRxiv (Cold Spring Harbor Laboratory) · 2026-05-07
Lukas Oesinghaus, Molly Park, Rulin Shao, Pang Wei Koh, Georg Seelig
Read original paper ↗ ·CurveHunter: A Multi-Agent Vision-Language System for Automated Adsorption Isotherm Curve Extraction
International Conference on Computer Supported Cooperative Work in Design (CSCWD) · 2026-05-13
Yiyi Miao, Taoyu Wu, Tong Chen, Xiaowei Yan, Zhe Tang, Youpeng Yang, Angelos Stefanidis, Lifeng Ding, Jionglong Su
Read original paper ↗ ·Automatic Workflow for Chemical Reaction Data Processing: A Case Study of Suzuki Reactions
Communications in Computational Chemistry · 2026-05-16
Yu Zhang, Yuchuan Chen, Ying Liu, J Chen, Xing Wang, Shoutong Rao, Daojing Li, Xinrui Tang, Guoqiang Wang, Jing Ma
Read original paper ↗ ·KnowMat: An Agentic Approach to Transforming Unstructured Materials Science Literature into Structured Data
Integrating materials and manufacturing innovation · 2026-05-16
Hasan M. Sayeed, Casey Clark, Trupti Mohanty, Taylor D. Sparks
Read original paper ↗ ·NMR-Challenge for LLMs: Evaluating Chemical Reasoning in Humans and AI
Journal of Chemical Information and Modeling · 2026-05-21
Samiha Sharlin, Fariha Agbere, Kevin Ishimwe, Zuzana Osifová, Ondřej Socha, Martin Dračínský, Tyler R. Josephson
Read original paper ↗ ·A survey of agentic materials science and engineering: where are we and where are we going?
Journal of Materials Informatics · 2026-05-26
Jiayi Zhu, Longhan Zhang, Yizhang Zhu, Xiaotian Lin, Yifan Wu, Shimin Di, Bang Liu, Yuyu Luo, Tong‐Yi Zhang
Read original paper ↗ ·Accelerating Perovskite Solar Cell Development Through High‐Throughput Technologies: Computational Simulation, Automated Experimentation, and Intelligent Integration
Battery energy · 2026-05-28
Yiming Wang, Ziwei Du, Yuehua Chen, Yicheng Qiu, Dong Yan, Bo Hou
Read original paper ↗ ·Information extraction for materials science using large language models: A survey of recent advances and new frontiers
Materials Today Communications · 2026-06-01
Yutong Duan, Y L Zhang, Runjia Yu, Dongyuan Li, Satoshi Kosugi, Manabu Okumura, Kotaro Funakoshi
Read original paper ↗ ·From unstructured to structured: opportunities, risks and engineering practices for LLM-based data extraction in chemistry and materials
AI Agent · 2026-06-03
Weijian Chen, Haoxiang Xu, Daojian Cheng
Read original paper ↗ ·A Large-Scale Nanocrystal Database with Aligned Synthesis and Properties, Enabling Generative Inverse Design
ACS Nano · 2026-06-08
Kai Gu, Yingping Liang, Senliang Peng, Aotian Guo, Ying Fu, Haizheng Zhong
Read original paper ↗ ·Automated Extraction of Multicomponent Alloy Data Using Large Language Models for Sustainable Design
Advanced Science · 2026-06-09
Arjun Sundaram, Mohit Chakraborty, Sai Mani Kumar Devathi, B. Pabitramohan Prusty, Rohit Batra
Read original paper ↗ ·