MS2Query

Niek F. de Jonge; Joris J.R. Louwen; Florian Huber; Justin J.J. van der Hooft

doi:10.5281/zenodo.7695011

MS2Query

Niek F. de Jonge^*, Joris J.R. Louwen, Florian Huber^*, Justin J.J. van der Hooft^*

^*Corresponding author for this work

Research output: Non-textual form › Software

Abstract

Machine learning assisted library querying of MS/MS spectra.

Original language	English
Publisher	Wageningen University & Research
Media of output	Online
DOIs	https://doi.org/10.5281/zenodo.7695011
Publication status	Published - 23 May 2023

Access to Document

10.5281/zenodo.7695011Licence: Apache

1 Article
1 Software

MS2Query: Reliable and scalable MS² mass spectra-based analogue search
de Jonge, N. F., Louwen, J. J. R., Chekmeneva, E., Camuzeaux, S., Vermeir, F. J., Jansen, R. S., Huber, F. & van der Hooft, J. J. J., 29 Mar 2023, In: Nature Communications. 14, 1, 12 p., 1752.
Research output: Contribution to journal › Article › Academic › peer-review

Open Access
22 Citations (Scopus)
MS2Query source code
de Jonge, N. F., 2 Mar 2023
Research output: Non-textual form › Software

Open Access

MS2Query results 20-fold cross validation
de Jonge, N. (Creator), Wageningen University & Research, 12 Dec 2022
DOI: 10.5281/zenodo.7427094
Dataset
MS2Query pre-trained embeddings and models 15-12-2021
de Jonge, N. (Creator), Zenodo, 17 Feb 2022
DOI: 10.5281/zenodo.6124553
Dataset

Cite this

@misc{4c797f86324446ef8dba3d52173839e7,

title = "MS2Query",

abstract = "Machine learning assisted library querying of MS/MS spectra.",

author = "{de Jonge}, {Niek F.} and Louwen, {Joris J.R.} and Florian Huber and {van der Hooft}, {Justin J.J.}",

year = "2023",

month = may,

day = "23",

doi = "10.5281/zenodo.7695011",

language = "English",

volume = "14",

publisher = "Wageningen University & Research",

address = "Netherlands",

}

TY - ADVS

T1 - MS2Query

AU - de Jonge, Niek F.

AU - Louwen, Joris J.R.

AU - Huber, Florian

AU - van der Hooft, Justin J.J.

PY - 2023/5/23

Y1 - 2023/5/23

N2 - Machine learning assisted library querying of MS/MS spectra.

AB - Machine learning assisted library querying of MS/MS spectra.

U2 - 10.5281/zenodo.7695011

DO - 10.5281/zenodo.7695011

M3 - Software

VL - 14

PB - Wageningen University & Research

ER -

MS2Query

Abstract

Access to Document

Fingerprint

Research output

MS2Query: Reliable and scalable MS2 mass spectra-based analogue search

MS2Query source code

Datasets

MS2Query results 20-fold cross validation

MS2Query pre-trained embeddings and models 15-12-2021

Cite this

MS2Query: Reliable and scalable MS² mass spectra-based analogue search