Research output per year
Research output per year
Description
Dataset used for evaulation and method development.
The SQLite database contains the pre-computed tandem mass spectra (MS2) and retention order scores used for the experiments in the publication: "Probabilistic Framework for Integration of Mass Spectrum and Retention Time Information in Small Molecule Identification" by Bach et al. (2020).
A detailed description of the database structure is given in the 'README.md' and can also be found in the code-repository associated with the publication. The database layout is illustrated in the 'db_layout.png' file.
The SQLite database contains the pre-computed tandem mass spectra (MS2) and retention order scores used for the experiments in the publication: "Probabilistic Framework for Integration of Mass Spectrum and Retention Time Information in Small Molecule Identification" by Bach et al. (2020).
A detailed description of the database structure is given in the 'README.md' and can also be found in the code-repository associated with the publication. The database layout is illustrated in the 'db_layout.png' file.
| Date made available | 1 Apr 2020 |
|---|---|
| Publisher | Zenodo |
| Date of data production | 1 Aug 2019 - 1 Aug 2020 |
Dataset Licences
- CC-BY-4.0
Research output
- 1 Article
-
Probabilistic Framework for Integration of Mass Spectrum and Retention Time Information in Small Molecule Identification
Bach, E., Rogers, S., Williamson, J. & Rousu, J., 27 Nov 2020, In: Bioinformatics. 37, 12, p. 1724-1731 8 p.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile8 Citations (Web of Science)127 Downloads (Pure)
Projects
- 1 Finished
-
Machine Learning for Computational Metabolomics
Rousu, J. (Principal investigator), Bach, E. (Project Member), Brouard, C. (Project Member), Oksanen, M. (Project Member), Sabzevari, M. (Project Member) & Huusari, R. (Project Member)
01/09/2017 → 31/08/2021
Project: Academy of Finland: Other research funding
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