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Ensemble Spectral Prediction (ESP) Model for Metabolite Annotation

Ensemble Spectral Prediction (ESP) Model for Metabolite Annotation

25 March 2022
Xinmeng Li
Hao Zhu
Liping Liu
S. Hassoun
ArXiv (abs)PDFHTML

Papers citing "Ensemble Spectral Prediction (ESP) Model for Metabolite Annotation"

5 / 5 papers shown
General Intelligence-based Fragmentation (GIF): A framework for peak-labeled spectra simulation
General Intelligence-based Fragmentation (GIF): A framework for peak-labeled spectra simulation
Margaret R. Martin
Soha Hassoun
72
0
0
11 Nov 2025
LSM-MS2: A Foundation Model Bridging Spectral Identification and Biological Interpretation
LSM-MS2: A Foundation Model Bridging Spectral Identification and Biological Interpretation
Gabriel Asher
Devesh Shah
Amy A. Caudy
Luke Ferro
Lea Amar
Ana S. H. Costa
Thomas Patton
Niall O'Connor
Jennifer M. Campbell
Jack Geremia
56
0
0
30 Oct 2025
MassSpecGym: A benchmark for the discovery and identification of molecules
MassSpecGym: A benchmark for the discovery and identification of moleculesNeural Information Processing Systems (NeurIPS), 2024
Roman Bushuiev
Anton Bushuiev
Niek F. de Jonge
A. Young
Fleming Kretschmer
...
Justin J. J. van der Hooft
Michael A. Stravs
Sebastian Böcker
Josef Sivic
Tomáš Pluskal
423
26
0
17 Feb 2025
JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data
JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data
A. Kalia
Yan Zhou Chen
Dilip Krishnan
S. Hassoun
250
4
0
18 Nov 2024
MassFormer: Tandem Mass Spectrum Prediction for Small Molecules using
  Graph Transformers
MassFormer: Tandem Mass Spectrum Prediction for Small Molecules using Graph Transformers
A. Young
Bo Wang
Russell Greiner
316
8
0
08 Nov 2021
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