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Cleaned and pre-processed MS/MS datset (build from all positive ionmode spectra in GNPS) - zip file

Huber, Florian; Ridder, Lars; Verhoeven, Stefan; Spaaks, Jurriaan H.; Diblen, Faruk; Rogers, Simon; van der Hooft, Justin J.J.


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    "description": "<p>Large MS/MS dataset build from data that was obtained from GNPS (accessed on 2020-05-11): <a href=\"https://gnps-external.ucsd.edu/gnpslibrary/ALL_GNPS.json\">https://gnps-external.ucsd.edu/gnpslibrary/ALL_GNPS.json</a></p>\n\n<p>The data was cleaned and pre-processed using notebooks provided here: https://github.com/iomega/spec2vec_gnps_data_analysis/tree/master/notebooks</p>\n\n<ul>\n\t<li>112,956 positive ionmode spectra</li>\n\t<li>metadata was cleaned and corrected using matchms (https://github.com/matchms/matchms) and lookup routines using PubChem</li>\n\t<li>92,954 of the spectra have Smiles and InchiKey (13717 unique InchiKey in first 14 characters)</li>\n</ul>\n\n<p>&nbsp;</p>\n\n<p>Was used for the main article on Spec2Vec --&gt; <a href=\"https://doi.org/10.1371/journal.pcbi.1008724\">https://doi.org/10.1371/journal.pcbi.1008724</a></p>", 
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    "title": "Cleaned and pre-processed MS/MS datset (build from all positive ionmode spectra in GNPS) - zip file", 
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    "publication_date": "2020-08-10", 
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        "affiliation": "Netherlands eScience Center", 
        "name": "Huber, Florian"
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        "affiliation": "Netherlands eScience Center", 
        "name": "Ridder, Lars"
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      {
        "affiliation": "Netherlands eScience Center", 
        "name": "Verhoeven, Stefan"
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        "affiliation": "Netherlands eScience Center", 
        "name": "Spaaks, Jurriaan H."
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        "affiliation": "Netherlands eScience Center", 
        "name": "Diblen, Faruk"
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      {
        "affiliation": "University of Glascow", 
        "name": "Rogers, Simon"
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        "affiliation": "Wageningen University", 
        "name": "van der Hooft, Justin J.J."
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