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Molecule retrieval from MS/MS spectrum
Molecule retrieval from MS/MS spectrum
Papers
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Showing 1–2 of 2 papers
Title
Date
Tasks
Status
Hype
MassSpecGym: A benchmark for the discovery and identification of molecules
Oct 30, 2024
De novo molecule generation from MS/MS spectrum
De novo molecule generation from MS/MS spectrum (bonus chemical formulae)
Code
Code Available
2
JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data
Nov 18, 2024
Molecule retrieval from MS/MS spectrum
Molecule retrieval from MS/MS spectrum (bonus chemical formulae)
—
Unverified
0
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Benchmark Results
▼
MassSpecGym
6 submissions
↑ higher is better
#
Model
Metric
Claimed
Verified
Status
1
JESTR_NR
Hit rate @ 1
15.62
—
Unverified
2
JESTR
Hit rate @ 1
15.13
—
Unverified
3
MIST
Hit rate @ 1
14.64
—
Unverified
4
JESTR
Hit rate @ 1
11.85
—
Unverified
5
JESTR_NR
Hit rate @ 1
11.82
—
Unverified
6
ESP
Hit rate @ 1
10.71
—
Unverified
