High Dimensional and Complex Spectrometric Data Analysis of an Organic Compound Using Large Multimodal Models

Explore an innovative approach to high dimensional and complex spectrometric data analysis using Large Multimodal Models (LMMs) in this 24-minute video presentation. Delve into a groundbreaking study that demonstrates the power of LMMs in interpreting complex chemical spectra. Learn how a manual evaluation of 13 chemical spectra, converted to text format, was used to prompt an AI model to identify a compound with the molecular formula C15H22O2. Discover how the AI-generated answer, (S)-ibuprofen ethylester, was rigorously validated through in-depth analysis of IR absorption peaks, 1D NMR resonances, and 2D NMR correlations. Gain insights into challenging aspects of high dimensional spectra interpretation, including diastereotopic protons, isopropyl group interactions, and chiral carbon spatial relationships. Understand how these advanced techniques confirmed the AI-assigned "S" stereochemistry, showcasing the potential of LMMs in solving complex chemical structure problems.

High Dimensional and Complex Spectrometric Data Analysis of an Organic Compound using LMMs