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RESEARCH PAPER · Chemical Society Reviews · 2024

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

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From text to insight: large language models for chemical data extractionOriginalLatent Variable Leakage in Materials AI: A Conceptual Risk Framework0Primacy Effect or Recency Effect? The Interplay of Travel Duration and Hedonic Trends in Multi-Destination Tourism3Beyond self-report surveys: Leveraging multimodal large language models (MLLMs) for farmers market data harvesting from public digital resources1Can large language models predict the hydrophobicity of metal–organic frameworks?8Current status and perspective of metal-free materials as catalysts in acetylene hydrochlorination: active site, dopant, and mechanism7DT-MIM: A network suitable for alloy microstructure evolution prediction and characterization0Extraction of chemical synthesis information using the World Avatar4NMRExtractor: leveraging large language models to construct an experimental NMR database from open-source scientific publications14Text mining in MOF research: from manual curation to large language model-based automation11Advances in innovative extraction techniques for polysaccharides, peptides, and polyphenols from distillery by-products: Common extraction techniques, emerging technologies, and AI-driven optimization21From pages to patterns: Towards extracting catalytic knowledge from structure and text for transition-metal complexes and metal-organic frameworks6Empowering Generalist Material Intelligence with Large Language Models29A framework for evaluating the chemical knowledge and reasoning abilities of large language models against the expertise of chemists84Rapid SERS Analysis: From Laboratory to Real Sample31Unlocking deep eutectic solvent knowledge through a large language model-driven framework and an interactive AI agent14Artificial Intelligence Paradigms for Next-Generation Metal–Organic Framework Research54Automated construction of inorganic materials databases and materials discovery based on large language models0The converging moment of chemistry and artificial intelligence: a review and outlook0Software implementation of probabilistic-deterministic design of a chemical experiment on R1Chemistries Moonshot: An Entirely Recyclable Car3Implementation of an open chemistry knowledge base with a Semantic Wiki2Enabling large language models for real-world materials discovery39Uncertainty-Informed Screening for Safer Solvents Used in the Synthesis of Perovskites via Language Models5Cognition-enhanced instruction framework: Accelerating structured battery knowledge extraction with low-parameter models1Probing the limitations of multimodal language models for chemistry and materials research39Use of Large Language Models for Extracting and Analyzing Data from Heterogeneous Catalysis Literature18Automated Literature Screening for Hepatocellular Carcinoma Treatment Through Integration of 3 Large Language Models: Methodological Study6Finding the dark matter: Large language model‐based enzyme kinetic data extractor and its validation9Automating Data Extraction From Scientific Literature and General PDF Files Using Large Language Models and KNIME : An Application in Toxicology9Co-intelligent Design of Catalysis Research with Large Language Models: Hype or Reality?5Perspective on artificial intelligence for accelerated materials design (AI4Mat) workshops in 20240ChemMiner: A Large Language Model Agent System for Chemical Literature Data Mining14Distilling Knowledge from Catalysis Literature with Long-Context Large Language Model Agents24Do LLMs Understand Why We Write Diaries? A Method for Purpose Extraction and Clustering0Empowering Chemistry Experts with Large Language Models for Literature Interpretation in Single‐Atom Catalysis Toward Advanced Oxidation3Empowering Chemistry Experts with Large Language Models for Literature Interpretation in Single‐Atom Catalysis Toward Advanced Oxidation15LLMs and NLP integration enables ion irradiation-induced swelling prediction in stainless steels2Digitale Chemie: Ein neues Zeitalter0Comparing the accuracy of AI-assisted data extraction versus human double extraction in evidence synthesis: a randomised controlled trial protocol3Data engineering for AI applications in energetic materials4Decoding the Buried Interface: A Synergistic Framework for Mastering the Core Challenges of Solid‐State Batteries6Machine learning accelerated data generation, process modelling and system optimization for biomass conversion and valorization16MOF-ChemUnity: Literature-Informed Large Language Models for Metal–Organic Framework Research32Role of Peptides in Skeletal Muscle Wasting: A Scoping Review6Identifying Biomedical Entities for Datasets in Scientific Articles: 4-Step Cache-Augmented Generation Approach Using GPT-4o and PubTator 3.04Towards greener-by-design fine chemicals. Part 2: technological frontiers12Bridging the synthesizability gap in perovskites by combining computations, literature data, and PU learning1Practical guide for food scientists to build AI: data, algorithms, and applications10Data-driven curation of organometallic precursor boiling points via natural language processing0Optimizing data extraction from materials science literature: a study of tools using large language models7Large Language Models (LLMs) for Materials Design14MaterialBrain: High-Performance Material Synthesis Extraction via Human–AI-Curated Few-Shot Large Language Models2A fine-tuned large language model approach for compound information extraction0AI-Powered Standard Operating Procedure Generation and Optimization Using Large Language Models for Chemical Laboratory Applications1An Automated Extraction System for Material Chemistry Experimental Protocols0Chat-RFB: a flow battery chat system leveraging knowledge graphs and large language models2Clever materials: when models identify good materials for the wrong reasons0Domain-adapted discovery of PET depolymerisation routes using in-house curated scientific literature0From Regulatory Text to Structured Data: A Domain-Specific LLM Framework for Extracting Hydropower Operational Constraints0From Regulatory Text to Structured Data: A Domain-Specific LLM Framework for Extracting Hydropower Operational Constraints0Interpretable, low-compute machine learning integrating experimental and catalytic descriptors for sustainable CO 2 electroreduction1Journal research data policies in materials science0MOFReasoner: think like a scientist—a reasoning large language model via knowledge distillation2Research Progress of Machine Learning in Surfactant Performance Prediction and Design1SmartCIF: a context-aware multi-agent system for automated preprocessing and curation of MOF CIFs1Toward self-driving laboratory 2.0 for chemistry and materials discovery15Predictive Chemical Kinetic Modeling: Where We Succeed, Where We Struggle, and What Comes Next14A general LLM-powered text mining framework: Applied to extract high entropy alloys4Towards Practical Ethics for AI1Applications of machine learning-based quantitative structure activity relationship (ML-QSAR) models in environmental science7Accelerating catalytic process optimization for water treatment via automated knowledge extraction and machine learning7General-Purpose Models for the Chemical Sciences: LLMs and Beyond6AI for materials: leading a new era in materials development0Machine learning unveils three layers of food complexity8Verifying LLM-extracted text with token alignment0Prompt Engineering Accelerates the Data‐Driven Discovery of Photocatalysts via an LLM‐Based Model Ensemble Strategy3DT-MIM: A network suitable for alloy microstructure evolution prediction and characterization0Boosting Computational Catalysis and Chemical Reactivity with Artificial Intelligence12Use of Machine Learning and Large Language Models in Chemical Information Extraction0A family of large language models for materials research with insights into model adaptability in continued pretraining6DressingGraphRAG: A domain-specific research assistant integrating GraphRAG and LLMs for wound dressing research1Large language model-based topic modeling for analyzing research trends in polymer science literature2New Opportunities For the Integration of Artificial Intelligence With Materials Science: From Large Language Models to Embodied Large Models2Unveiling the correlation between high-entropy alloy element systems and electrocatalytic activity7Mining Multimodal Fatigue Data Using Reasoning Foundation Models and Formalized Domain Knowledge0Sodium-ion Batteries: A comprehensive review of materials chemistry, interfacial challenges, and industrialization progress1Democratizing AI‐Enhanced Experimental Optimization: An Accessible Workflow for Chemists0schema-miner pro: Agentic AI for Ontology Grounding Over LLM-Discovered Scientific Schemas in a Human-in-the-Loop Workflow2Toward the intelligent robotics era: Multimodal flexible haptic sensors for advanced perception systems7Transforming the cytokine literature into a resource for experimental analysis and discovery0CurveHunter: A Multi-Agent Vision-Language System for Automated Adsorption Isotherm Curve Extraction0Automatic Workflow for Chemical Reaction Data Processing: A Case Study of Suzuki Reactions0KnowMat: An Agentic Approach to Transforming Unstructured Materials Science Literature into Structured Data1NMR-Challenge for LLMs: Evaluating Chemical Reasoning in Humans and AI3A survey of agentic materials science and engineering: where are we and where are we going?0Accelerating Perovskite Solar Cell Development Through High‐Throughput Technologies: Computational Simulation, Automated Experimentation, and Intelligent Integration0Information extraction for materials science using large language models: A survey of recent advances and new frontiers1From unstructured to structured: opportunities, risks and engineering practices for LLM-based data extraction in chemistry and materials4A Large-Scale Nanocrystal Database with Aligned Synthesis and Properties, Enabling Generative Inverse Design0Automated Extraction of Multicomponent Alloy Data Using Large Language Models for Sustainable Design0LC Agent: Toward AI-Driven Recommendation of Liquid Chromatography Conditions for Chemical Reactions0Librarian of Alexandria: A Modular Chemical Data Extraction Pipeline to Compare LLM Performance0Challenges and Vision for Standardization of Biopolymer Data Sets for Machine Learning0Multimodal Machine Learning Models on Aqueous Direct Photodisappearance Rate Constants of Chemicals Exhibit Previously Unattainable Performance1Design and realization of high performance textured lead-free piezoelectric ceramics through human-AI collaboration1Structure-function relationship and intelligent regulation of polysaccharide and protein-based hydrogels in food fresh-keeping packaging: A review2Automated Extraction of Parameters from Optical Transceiver Datasheets using Multi-Stage LLM Pipeline0ChemRANG: Building AI-ready datasets via mechanism-informed curation to learn reaction feasibility boundaries0From engineering knowledge to engineering decisions: The emerging role of large language models in process systems engineering0Ontology‐Aligned Structuring and Reuse of Multimodal Materials Data and Workflows Toward Automatic Reproduction0Literature Screening and Knowledge Extraction via Domain-Adaptive Transfer Learning with Large Language Models0From Chatbots to Chemists: Autonomous Agents for Heterogeneous Catalysis0Can LLMs Solve Solubility Tasks? The SoluBench Benchmark for Pure and Mixed Solvent Systems0Intelligent Agent-Driven Design of Dynamically Reconstructed Metal-Organic Frameworks toward Industrial-Scale Anion-Exchange-Membrane Water Electrolysis1To Believe or Not To Believe: Comparing Supporting Information Tools to Aid Human Judgments of AI Veracity0From literature to knowledge graphs: automated extraction and retrieval of life cycle assessment data with large language models1Information extraction from literature for ORR catalyst in fuel cell0LLM-driven materials knowledge extraction: multimodal parsing, ontology, and agentic systems0Matching Artificial Intelligence Methods to Research Problems in Medical Informatics0Evaluating AI Agent prompting and fine-tuning strategies for structured data extraction from industrial PDFs0From prediction to realization: large language models and AI agents for inorganic materials discovery1New Frontiers in Single-Atom Catalysis: Active-Site Dynamics and AI-Enabled Design1A GPT-Driven De Novo Discovery of SIRT2 Inhibitors Against Breast Cancer0Harnessing Machine Learning to Enhance UV-based Advanced Oxidation Processes for Sustainable Micropollutant Abatement0A domain-enhanced multi-agent framework for trustworthy literature screening in water research0Human-in-the-loop AI in analytical chemistry: a critical review from large language models to agentic systems0Large language model-guided high-throughput screening for accelerated discovery of Pt-based high-entropy electrocatalysts0Aromatic Heterocycle Ligands for Perovskite Photovoltaics: Balancing Defect Passivation and Heterostructure Formation0Large language models for environmental research: systematic literature screening, relational knowledge mining, and quantitative data extraction0A reflection-enhanced LLM literature-to-design framework for surrogate-guided inverse design of high-entropy alloys0Progress and prospects of amine-based chemical absorption for post-combustion CO2 capture in thermal power plants0Toward trustworthy LLM-based scientific information extraction: An ontology-guided, validation-aware workflow and a single-domain case study0MXLLM: An integrated literature-to-experiment framework for MXene electromagnetic absorbers0Logical Structure Aware Multi-relation Extraction for Materials Scientific Literature0Artificial Intelligence in Organic Synthesis0Large Language Model-Assisted Development of Reliable Machine Learning Models for Hydrogen Evolution Reaction Catalysts0Biodegradable electronic materials and devices0Photothermal‐Seek: Literature‐Grounded Knowledge Graphs for Discovering High‐Performance Solar Evaporators0AI algorithms empowered terahertz functional devices design and perception applications0Toward Autonomous Extraction and Building of Machine-Readable Molecular Models from Publications Using Large Language Models0Digital twins for energy wells through multiscale physics-data fusion: Review, challenges, and a conceptual framework0Datasets for AI‐Driven Energetic Materials Research: Construction, Progress, and Challenges0

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