Related Experiment Video
Updated: Jun 4, 2025

Augmenting Large Language Models via Vector Embeddings to Improve Domain-Specific Responsiveness
Published on: December 6, 2024
From text to insight: large language models for chemical data extraction
Mara Schilling-Wilhelmi1, Martiño Ríos-García1,2, Sherjeel Shabih3
1Laboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, Humboldtstrasse 10, 07743 Jena, Germany. mail@kjablonka.com.
Abstract:
The vast majority of chemical knowledge exists in unstructured natural language, yet structured data is crucial for innovative and systematic materials design. Traditionally, the field has relied on manual curation and partial automation for data extraction for specific use cases. The advent of large language models (LLMs) represents a significant shift, potentially enabling non-experts to extract structured, actionable data from unstructured text efficiently. While applying LLMs to chemical and materials science data extraction presents unique challenges, domain knowledge offers opportunities to guide and validate LLM outputs. This tutorial review provides a comprehensive overview of LLM-based structured data extraction in chemistry, synthesizing current knowledge and outlining future directions. We address the lack of standardized guidelines and present frameworks for leveraging the synergy between LLMs and chemical expertise. This work serves as a foundational resource for researchers aiming to harness LLMs for data-driven chemical research. The insights presented here could significantly enhance how researchers across chemical disciplines access and utilize scientific information, potentially accelerating the development of novel compounds and materials for critical societal needs.
More Related Videos
09:04Identifying Per- and Polyfluorinated Chemical Species with a Combined Targeted and Non-Targeted-Screening High-Resolution Mass Spectrometry Workflow
Published on: April 18, 2019
11:00Untargeted Metabolomics from Biological Sources Using Ultraperformance Liquid Chromatography-High Resolution Mass Spectrometry UPLC-HRMS
Published on: May 20, 2013
Related Concept Videos
Molecular Models
Ligand Binding Sites
Protein-ligand interactions are quite specific; even though numerous potential ligands surround a cellular protein at any given time, only a particular ligand can bind to that protein. Moreover, a ligand binds only to a dedicated area on the surface of the protein, known as the...
Spectroscopy of Carboxylic Acid Derivatives
Pharmacokinetic Models: Overview
There are three primary types of models: empirical, compartment, and physiological. Empirical models, with minimal...
Extraction: Advanced Methods
Drug Discovery: Overview