(Q40750458)

23 September 2017

Metabolite identification through multiple kernel learning on fragmentation trees (English)

1 reference

metabolite identification

23 September 2017

multiple kernel learning

1 reference

based on heuristic

inferred from title

1 reference

based on heuristic

inferred from title

object named as

metabolite identification

4 February 2023

Kai Dührkop

2

0 references

Sebastian Böcker

series ordinal

3

object named as

Sebastian Böcker

1 reference

23 September 2017

4

Juho Rousu

1 reference

23 September 2017

1

Huibin Shen

1 reference

PMCID

4058957

23 September 2017

language of work or name

English

0 references

publication date

1 June 2014

1 reference

23 September 2017

1 reference

23 September 2017

30

1 reference

23 September 2017

i157-64

1 reference

23 September 2017

12

1 reference

Creative Commons Attribution 3.0 Unported

23 September 2017

start time

3 October 2016

1 reference

April 2023 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

MetFusion: integration of compound identification strategies

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4058957

Computational mass spectrometry for small molecules

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4058957

An accelerated workflow for untargeted metabolomics using the METLIN database

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4058957

Metabolite identification and molecular fingerprint prediction through machine learning.

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4058957

Metabolite Identification Using Automated Comparison of High-Resolution Multistage Mass Spectral Trees

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4058957

In silico identification software (ISIS): a machine learning approach to tandem mass spectral identification of lipids.

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4058957

Identifying the Unknowns by Aligning Fragmentation Trees

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4058957

Open Babel: An open chemical toolbox

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4058957

Computing fragmentation trees from tandem mass spectrometry data

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4058957

MassBank: a public repository for sharing mass spectral data for life sciences

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4058957

In silico fragmentation for computer assisted identification of metabolite mass spectra

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4058957

Computational methods for metabolic reconstruction

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4058957

On the inter-instrument and the inter-laboratory transferability of a tandem mass spectral reference library: 2. Optimization and characterization of the search algorithm

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4058957

Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4058957

METLIN: a metabolite mass spectral database

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4058957

KEGG: kyoto encyclopedia of genes and genomes

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4058957

Metabolite Identification through Machine Learning- Tackling CASMI Challenge Using FingerID

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4058957

Finding maximum colorful subtrees in practice

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4058957

SIRIUS: decomposing isotope patterns for metabolite identification

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4058957

Towards de novo identification of metabolites by analyzing tandem mass spectra

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4058957

Mass spectral metabonomics beyond elemental formula: chemical database querying by matching experimental with computational fragmentation spectra.

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4058957

Graph kernels based on tree patterns for molecules

19 August 2018

1 reference

Crossref

https://api.crossref.org/works/10.1093%2FBIOINFORMATICS%2FBTU275

Computational mass spectrometry for small-molecule fragmentation

21 January 2018

2 references

5 May 2024

https://opencitations.net/index/api/v1/references/10.1093/BIOINFORMATICS/BTU275

5 May 2024

https://opencitations.net/index/api/v1/citations/10.1016/J.TRAC.2013.09.008

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.1093/BIOINFORMATICS/BTU275

Identifiers

DOI

10.1093/BIOINFORMATICS/BTU275

1 reference

journals/bioinformatics/ShenDBR14

23 September 2017

1 reference

DBLP Dataset 2021-01-02

release_ja4rt4ybhffepi5hepv33uxhni

28 January 2021

Fatcat ID

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/ja4rt4ybhffepi5hepv33uxhni

mapped directly with Wikidata item

24 November 2022

based on heuristic

PMCID

4058957

1 reference

23 September 2017

1 reference

PMCID

4058957