IR-Agent is a multi-agent LLM framework that emulates expert IR spectral analysis procedures to improve molecular structure elucidation accuracy and adaptability.
Large and frequently occurring substructures in organic compounds obtained by library search of infrared spectra
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IR-Agent: Expert-Inspired LLM Agents for Structure Elucidation from Infrared Spectra
IR-Agent is a multi-agent LLM framework that emulates expert IR spectral analysis procedures to improve molecular structure elucidation accuracy and adaptability.