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molecule-retrieval-from-ms-ms-spectrum-on

Molecule retrieval from MS/MS spectrum
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PaperCodeHit rate @ 1Hit rate @ 5Hit rate @ 20MCES @ 1ModelNameReleaseDate
JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data15.6237.4760.55JESTR_NR2024-11-18
JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data15.1336.7560.32JESTR2024-11-18
MassSpecGym: A benchmark for the discovery and identification of molecules✓ Link14.6434.8759.1515.37MIST2024-10-30
JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data10.7124.8442.66ESP2024-11-18
MassSpecGym: A benchmark for the discovery and identification of molecules✓ Link5.2412.5828.2122.13DeepSets + Fourier features2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules✓ Link2.547.5920.0024.66Fingerprint FFN2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules✓ Link1.476.2119.2325.11DeepSets2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules✓ Link0.372.018.2230.81Random2024-10-30
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