(Q33371981)

26 July 2017

Building blocks for automated elucidation of metabolites: machine learning methods for NMR prediction (English)

1 reference

26 July 2017

0 references

1 reference

4

1 reference

26 July 2017

3

Steffen Neumann

1 reference

26 July 2017

Stefan Kuhn

1

1 reference

PubMed ID

18817546

26 July 2017

Björn Egert

series ordinal

2

1 reference

26 July 2017

25 September 2008

1 reference

26 July 2017

1 reference

26 July 2017

9

1 reference

26 July 2017

400

1 reference

https://scigraph.springernature.com/pub.10.1186/1471-2105-9-400

26 July 2017

0 references

cites work

Performance validation of neural network based (13)C NMR prediction using a publicly available data source

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2605476

A high-throughput method for microbial metabolome analysis using gas chromatography/mass spectrometry

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2605476

HMDB: the Human Metabolome Database

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2605476

Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2605476

NMRShiftDB – compound identification and structure elucidation support through a free community-built web database

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2605476

Recent developments in automated structure elucidation of natural products

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2605476

The impact of available experimental data on the prediction of 1H NMR chemical shifts by neural networks

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2605476

NMRShiftDB - Constructing a Free Chemical Information System with Open-Source Components

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2605476

PROSHIFT: Protein chemical shift prediction using artificial neural networks

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2605476

The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2605476

Prediction of 1H NMR Chemical Shifts Using Neural Networks

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2605476

The automation of natural product structure elucidation.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2605476

Toward more reliable 13C and 1H chemical shift prediction: a systematic comparison of neural-network and least-squares regression based approaches.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2605476

Structure-based predictions of 1H NMR chemical shifts using feed-forward neural networks.

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2605476

Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures

31 October 2018

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1186/1471-2105-9-400

Computer-Assisted Structural Interpretation of1H-NMR. Spectral Data

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1186/1471-2105-9-400

Identifying Important Risk Factors for Survival in Kidney Graft Failure Patients Using Random Survival Forests

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1186/1471-2105-9-400

Deriving the 3D structure of organic molecules from their infrared spectra

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1186/1471-2105-9-400

HOSE — a novel substructure code

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1186/1471-2105-9-400

The random subspace method for constructing decision forests

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1186/1471-2105-9-400

Identifiers

DOI

10.1186/1471-2105-9-400

1 reference

26 July 2017

journals/bmcbi/KuhnENS08

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

0 references

1 reference

26 July 2017

1 reference

PubMed ID

18817546