(Q27702197)

5

0 references

Christoph Ruttkies

object named as

Christoph Ruttkies

1

0 references

Juliane Hollender

object named as

Juliane Hollender

4

0 references

author name string

Sebastian Wolf

Journal of Cheminformatics

3

0 references

publication date

29 January 2016

0 references

published in

0 references

volume

8

0 references

page(s)

3

0 references

issue

1

0 references

copyright license

Creative Commons Attribution 4.0 International

start time

29 January 2016

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

exact match

https://scigraph.springernature.com/pub.10.1186/s13321-016-0115-9

0 references

cites work

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20 March 2017

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20 March 2017

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20 March 2017

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20 March 2017

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20 March 2017

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20 March 2017

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20 March 2017

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20 March 2017

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20 March 2017

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7 April 2017

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Annotation of metabolites from gas chromatography/atmospheric pressure chemical ionization tandem mass spectrometry data using an in silico generated compound database and MetFrag

29 September 2017

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Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis

29 September 2017

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Predicting retention time in hydrophilic interaction liquid chromatography mass spectrometry and its use for peak annotation in metabolomics

29 September 2017

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Critical evaluation of a simple retention time predictor based on LogKow as a complementary tool in the identification of emerging contaminants in water

29 September 2017

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29 September 2017

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Prediction of chromatographic retention time in high-resolution anti-doping screening data using artificial neural networks

29 September 2017

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MetFusion: integration of compound identification strategies

29 September 2017

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Metabolite identification and molecular fingerprint prediction through machine learning.

29 September 2017

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29 September 2017

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Identification of "known unknowns" utilizing accurate mass data and chemical abstracts service databases

29 September 2017

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29 September 2017

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Calculation of molecular lipophilicity: State-of-the-art and comparison of log P methods on more than 96,000 compounds

29 September 2017

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Suspect and nontarget screening approaches to identify organic contaminant records in lake sediments

29 September 2017

1 reference

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Strategies to characterize polar organic contamination in wastewater: exploring the capability of high resolution mass spectrometry

27 November 2018

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Identification of novel micropollutants in wastewater by a combination of suspect and nontarget screening

27 November 2018

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Substructure-based annotation of high-resolution multistage MS(n) spectral trees.

27 November 2018

1 reference

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27 November 2018

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27 November 2018

1 reference

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Identification of transformation products of organic contaminants in natural waters by computer-aided prediction and high-resolution mass spectrometry

27 November 2018

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Matching structures to mass spectra using fragmentation patterns: are the results as good as they look?

27 November 2018

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27 November 2018

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Automatic Compound Annotation from Mass Spectrometry Data Using MAGMa

27 November 2018

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PubMed

https://pubmed.ncbi.nlm.nih.gov/26834843

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Winners of CASMI2013: Automated Tools and Challenge Data

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/26834843

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Calculating log Poct from structures

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-016-0115-9

A New Atom-Additive Method for Calculating Partition Coefficients

5 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-016-0115-9

Mass spectral databases for LC/MS- and GC/MS-based metabolomics: State of the field and future prospects

5 October 2021

1 reference

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CASMI: And the Winner is . .

5 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-016-0115-9

Gas-chromatographische Charakterisierung organischer Verbindungen. Teil 1: Retentionsindices aliphatischer Halogenide, Alkohole, Aldehyde und Ketone

5 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-016-0115-9

Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification

5 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-016-0115-9

10.1186/S13321-016-0115-9

5 October 2021

Identifiers

DOI

0 references

DBLP publication ID

journals/jcheminf/RuttkiesSWHN16

1 reference

DBLP Dataset 2021-01-02