Pretrained Spec2Vec model (trained on GNPS UniqueInchikey dataset)

Name: Pretrained Spec2Vec model (trained on GNPS UniqueInchikey dataset)
Creator: Huber, Florian
Keywords: Word2Vec model, Spec2Vec, mass spectra embeddings, GENSIM model

Huber, Florian

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Other ORP type . 2020

License: CC BY

Data sources: Datacite

ZENODO

Other ORP type . 2020

License: CC BY

Data sources: Datacite

Pretrained Spec2Vec model (trained on GNPS UniqueInchikey dataset)

appsOther research productkeyboard_double_arrow_right Other ORP type 10 Aug 2020Publisher:Zenodo

Authors: Huber, Florian;

doi: 10.5281/zenodo.3978054 , 10.5281/zenodo.3978053

Pretrained Spec2Vec model (trained on GNPS UniqueInchikey dataset)

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Abstract

Pretrained Gensim Word2Vec model for Spec2Vec: The model was trained for 50 iterations on the "UniqueInchikey" subset (12,797 spectra after filtering) of GNPS positive ionmode mass spectra as fully described here https://github.com/iomega/spec2vec_gnps_data_analysis/blob/master/notebooks/iomega-5-train-spec2vec-model.ipynb. Used for the Plos Computational Biology article on Spec2Vec --> https://doi.org/10.1371/journal.pcbi.1008724

Related Organizations

Netherlands eScience Center
Netherlands
Dutch Research Council
Netherlands

Keywords

Word2Vec model, Spec2Vec, mass spectra embeddings, GENSIM model

2 Research products, page 1 of 1

Spec2Vec: Improved mass spectral similarity scoring through learning of structural relationships
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