New kids on the block: novel informatics methods for natural product discovery (Q35154173)

6 August 2017

New kids on the block: novel informatics methods for natural product discovery (English)

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6 August 2017

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3

Sebastian Böcker

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6 August 2017

1

Franziska Hufsky

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6 August 2017

2

Kerstin Scheubert

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6 August 2017

22 April 2014

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6 August 2017

Natural Product Reports

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6 August 2017

31

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6 August 2017

6

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6 August 2017

807-817

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Towards de novo identification of metabolites by analyzing tandem mass spectra

6 August 2017

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

MetFusion: integration of compound identification strategies

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

FiD: a software for ab initio structural identification of product ions from tandem mass spectrometric data

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

Metabolite identification and molecular fingerprint prediction through machine learning.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

Fast alignment of fragmentation trees

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

De novo analysis of electron impact mass spectra using fragmentation trees

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

False discovery rates in spectral identification

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

Advances in structure elucidation of small molecules using mass spectrometry

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

TOPOLOGICAL MAPPING OF ORGANIC MOLECULES.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

antiSMASH: rapid identification, annotation and analysis of secondary metabolite biosynthesis gene clusters in bacterial and fungal genome sequences

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

Cycloquest: identification of cyclopeptides via database search of their mass spectra against genome databases

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

A new approach to evaluating statistical significance of spectral identifications

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

Computational mass spectrometry for metabolomics: identification of metabolites and small molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

MS/MS networking guided analysis of molecule and gene cluster families.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

On the inter-instrument and inter-laboratory transferability of a tandem mass spectral reference library: 1. Results of an Austrian multicenter study.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

Innovation: Metabolomics: the apogee of the omics trilogy

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

Computing fragmentation trees from tandem mass spectrometry data

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

Identifying the Unknowns by Aligning Fragmentation Trees

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

Computing fragmentation trees from metabolite multiple mass spectrometry data

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

Computational mass spectrometry for small molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

Mass spectral reference libraries: an ever-expanding resource for chemical identification

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

Optimization and testing of mass spectral library search algorithms for compound identification

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

Mass spectral molecular networking of living microbial colonies

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

In silico fragmentation for computer assisted identification of metabolite mass spectra

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3NP70101H

Computational mass spectrometry for small-molecule fragmentation

21 January 2018

2 references

5 May 2024

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

5 May 2024

https://opencitations.net/index/api/v1/references/10.1039/C3NP70101H

Mass Spectral Classifiers for Supporting Systematic Structure Elucidation†

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.1039/C3NP70101H

Molecules in Silico: The Generation of Structural Formulae and Its Applications

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.1039/C3NP70101H

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.1039/C3NP70101H

Identifiers

DOI

10.1039/C3NP70101H

1 reference

6 August 2017

1 reference

PubMed ID

24752343