Testing the Reliability of ChatGPT in Providing Spectral Information

Ana Fraiman, Paola Barron, Brooke Dorsey, Sofia A. Delgado, & Emanuel Sanchez

Northeastern Illinois University

Abstract

ChatGPT has emerged as a tool for predicting Hydrogen-1 Nuclear Magnetic Resonance (1HNMR), Infrared (IR), and Mass Spectrometry (MS) spectra. In order to rely on ChatGPT as a tool, a proof of concept for its application was essential. Having the ChatGPT outputs be validated by experimental data and databases (SDBS) has proven valuable for future uses. By inference, ChatGPT spectra output can be used to design problems without interference of copyright infringement of existing databases.

Keywords: Internet/Web-Based Learning, Generative Artificial Intelligence, Organic Chemistry, HNMR Spectroscopy, IR Spectroscopy, Mass Spectrometry

Recommended Citation

Fraiman, A., Barron, P., Dorsey, B., Delgado, S.A., & Sanchez, E. (2024). Testing the reliability of ChatGPT in providing spectral information of organic molecules. Advances in Peer-Led Learning, 4, 69-108. Online at https://doi.org/10.54935/apll2024-01-07-69