JESTR ranks metabolite candidates by cosine similarity in a jointly learned molecule-spectrum embedding space, outperforming ESP, MIST, and CMSSP on benchmark datasets.
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JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data
JESTR ranks metabolite candidates by cosine similarity in a jointly learned molecule-spectrum embedding space, outperforming ESP, MIST, and CMSSP on benchmark datasets.