JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data

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Benchmark Model Rank Results
molecule-retrieval-from-ms-ms-spectrum-bonus-chemical-formulae-on-massspecgymESP–Hit rate @ 1: 11.05Hit rate @ 5: 27.42Hit rate @ 20: 52.20
molecule-retrieval-from-ms-ms-spectrum-bonus-chemical-formulae-on-massspecgymJESTR–Hit rate @ 1: 11.85Hit rate @ 5: 32.95Hit rate @ 20: 61.46
molecule-retrieval-from-ms-ms-spectrum-bonus-chemical-formulae-on-massspecgymJESTR_NR–Hit rate @ 1: 11.82Hit rate @ 5: 33.48Hit rate @ 20: 61.46
molecule-retrieval-from-ms-ms-spectrum-on-massspecgymESP–Hit rate @ 1: 10.71Hit rate @ 5: 24.84Hit rate @ 20: 42.66
molecule-retrieval-from-ms-ms-spectrum-on-massspecgymJESTR–Hit rate @ 1: 15.13Hit rate @ 5: 36.75Hit rate @ 20: 60.32
molecule-retrieval-from-ms-ms-spectrum-on-massspecgymJESTR_NR–Hit rate @ 1: 15.62Hit rate @ 5: 37.47Hit rate @ 20: 60.55

Rank counts only results with a code link.