In-silico Tandem Mass Spectral Libraries for the Blood Exposome and Metabolomics Workbench Databases: Application of Gemini Large Language Model
Tuan Nguyen, Dinesh Kumar Barupal
The paper generates in-silico mass spectral libraries for human metabolomics using the Gemini large language model, achieving 55% accuracy compared to NIST 23.
bioRxiv · Oct 25, 2026 · PreprintBioinformatics