Comprehensive Characterization of Oxidative Stress-Modulating Chemicals Using GPT-Based Text Mining
Wenqing Liang, Wenyuan Su, Laijin Zhong, Zhendong Yang, Tingyu Li, Yong Liang, Ting Ruan, Guibin Jiang
Abstract
The screening of hazardous environmental pollutants is hindered by the limited availability of toxicological databases. Large language model (LLM)-based text mining holds the potential to automatically extract complex toxicological information from the literature. Due to its relevance to diseases and the challenge of comprehensive characterization, oxidative stress serves as a suitable case for research by texting mining. In this study, a robust workflow utilizing a LLM (i.e., GPT-4) was developed to extract information on oxidative stress tests, including data collection, text preprocessing, prompt engineering, and performance evaluation procedures. A total of 17,780 relevant records were extracted from 7166 articles, covering 2558 unique compounds. A rising interest in oxidative stress was observed over the past two decades. A list of known prooxidants ( n = 1416) and antioxidants ( n = 1102) was established, with the leading chemical categories being pharmaceuticals, pesticides, and metals for prooxidants and pharmaceuticals and flavonoids for antioxidants. Structural alert analysis identified potential prooxidant (e.g., chlorobenzene, nitrobenzene, and tertiary amines) and antioxidant (e.g., flavonoid and thiol) substructures. These findings illustrate the feasibility of building toxicological databases through LLM-based text mining in a cost-efficient manner, and the information obtained from the technique holds significant promise for future applications in environmental and health research.