Published 2025
| Version v2
Dataset
Open
Case study data MS2Deepscore 2.0
-
1.
Imperial College London
-
2.
Wageningen University & Research
Description
The case study data accompanying the paper: Bridging polarities in metabolomics: Cross-ion mode chemical similarity prediction between tandem mass spectra. The data collection was done by the National Phenome Centre and the data was processed by Elena Chekmeneva.
If you use the data please cite the following:
https://doi.org/10.1021/acs.analchem.1c04378
The MS2Deepscore 2.0 paper: Bridging polarities in metabolomics: Cross-ion mode chemical similarity prediction between tandem mass spectra.
Files
manual_annotations.csv
Files
(18.3 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:f414385aff3f246b9a64f5a8c8217fd0
|
5.8 MB | Download |
|
md5:244200b8e90ecc32e69b5d4193f1c97b
|
5.0 MB | Download |
|
md5:6a986ffd5c3ec74ed9e444fe52f96610
|
4.9 MB | Download |
|
md5:efd301db8895a26457164155b5b5e72a
|
5.5 kB | Preview Download |
|
md5:126011821edce4fd4d55277638e73ede
|
1.3 MB | Download |
|
md5:e1de38c081fda46d634cd877ebd3acdd
|
736.4 kB | Download |
|
md5:6845ab8b871cbba2c7aadba2ca210031
|
445.2 kB | Preview Download |