Analytical chemistry
Retrieval-Augmented Language Models Enable Scalable Chemical Source Classification in Metabolomics Workflows.
Prajit Rajkumar, Runbang Tang, Harshada Sapre, Jasmine Zemlin, Victoria Deleray, Jeong In Seo, Siddharth Mohan, Shipei Xing, Harsha Gouda, Yasin El Abiead, Shirley M Tsunoda, Haoqi Nina Zhao, Pieter C Dorrestein
Published: 202610.1021/acs.analchem.5c05301
Abstract
There is a growing need for scalable chemical classification to support the interpretation of exposomics and metabolomics data. While structural categorization has been largely automated, functional and exposure-based labeling of chemicals remains a…
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