(Q30489857)

English

Human- and computer-accessible 2D correlation data for a more reliable structure determination of organic compounds. Future roles of researchers, software developers, spectrometer managers, journal editors, reviewers, publisher and database managers

scientific article

In more languages

Statements

scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

22 June 2017

1 reference

Europe PubMed Central

Human- and computer-accessible 2D correlation data for a more reliable structure determination of organic compounds. Future roles of researchers, software developers, spectrometer managers, journal editors, reviewers, publisher and database managers (English)

1 reference

Europe PubMed Central

PubMed publication ID

22 June 2017

Damien Jeannerat

1

object named as

Damien Jeannerat

1 reference

Europe PubMed Central

PubMed publication ID

22 June 2017

publication date

18 September 2016

1 reference

Europe PubMed Central

PubMed publication ID

22 June 2017

Magnetic Resonance in Chemistry

1 reference

Europe PubMed Central

PubMed publication ID

22 June 2017

55

1 reference

Europe PubMed Central

PubMed publication ID

22 June 2017

1

1 reference

Europe PubMed Central

PubMed publication ID

22 June 2017

7-14

1 reference

Europe PubMed Central

PubMed publication ID

22 June 2017

“Ask Ernö”: a self-learning tool for assignment and prediction of nuclear magnetic resonance spectra

1 reference

https://api.crossref.org/works/10.1002%2FMRC.4527

21 January 2018

Automatic assignment of 1H-NMR spectra of small molecules.

1 reference

https://api.crossref.org/works/10.1002%2FMRC.4527

21 January 2018

Fully automatic assignment of small molecules' NMR spectra without relying on chemical shift predictions

1 reference

https://api.crossref.org/works/10.1002%2FMRC.4527

21 January 2018

Recent advances in the structure elucidation of small organic molecules by the LSD software

1 reference

https://api.crossref.org/works/10.1002%2FMRC.4527

21 January 2018

Structure elucidation from 2D NMR spectra using the StrucEluc expert system: detection and removal of contradictions in the data

1 reference

https://api.crossref.org/works/10.1002%2FMRC.4527

21 January 2018

Towards the automatic analysis of NMR spectra: part 7. Assignment of 1H by employing both 1H and 1H/13C correlation spectra.

1 reference

https://api.crossref.org/works/10.1002%2FMRC.4527

21 January 2018

Structure verification through computer-assisted spectral assignment of NMR spectra

1 reference

https://api.crossref.org/works/10.1002%2FMRC.4527

21 January 2018

Automated structure verification based on a combination of 1D (1)H NMR and 2D (1)H - (13)C HSQC spectra

1 reference

https://api.crossref.org/works/10.1002%2FMRC.4527

21 January 2018

Machines first, humans second: on the importance of algorithmic interpretation of open chemistry data

1 reference

https://api.crossref.org/works/10.1002%2FMRC.4527

21 January 2018

Optical structure recognition software to recover chemical information: OSRA, an open source solution

1 reference

https://api.crossref.org/works/10.1002%2FMRC.4527

21 January 2018

Proton fingerprints portray molecular structures: enhanced description of the 1H NMR spectra of small molecules

1 reference

https://api.crossref.org/works/10.1002%2FMRC.4527

21 January 2018

Facilitating quality control for spectra assignments of small organic molecules: nmrshiftdb2--a free in-house NMR database with integrated LIMS for academic service laboratories.

1 reference

https://api.crossref.org/works/10.1002%2FMRC.4527

21 January 2018

Toward Structural Correctness: Aquatolide and the Importance of 1D Proton NMR FID Archiving

1 reference

https://api.crossref.org/works/10.1002%2FMRC.4527

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMRC.4527

21 January 2018

Fast and accurate algorithm for the simulation of NMR spectra of large spin systems.

1 reference

https://api.crossref.org/works/10.1002%2FMRC.4527

21 January 2018

PubChem Substance and Compound databases

1 reference

https://api.crossref.org/works/10.1002%2FMRC.4527

21 January 2018

The ChEMBL bioactivity database: an update

1 reference

https://api.crossref.org/works/10.1002%2FMRC.4527

21 January 2018

Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining

1 reference

https://api.crossref.org/works/10.1002%2FMRC.4527

21 January 2018

A guide to small-molecule structure assignment through computation of (¹H and ¹³C) NMR chemical shifts

1 reference

https://api.crossref.org/works/10.1002%2FMRC.4527

21 January 2018

rNMR: open source software for identifying and quantifying metabolites in NMR spectra

1 reference

https://api.crossref.org/works/10.1002%2FMRC.4527

21 January 2018

HMDB 3.0--The Human Metabolome Database in 2013

1 reference

https://api.crossref.org/works/10.1002%2FMRC.4527

21 January 2018

Birmingham Metabolite Library: a publicly accessible database of 1-D 1H and 2-D 1H J-resolved NMR spectra of authentic metabolite standards (BML-NMR)

1 reference

https://api.crossref.org/works/10.1002%2FMRC.4527

21 January 2018

Progress on an open source computer-assisted structure elucidation suite (SENECA)

1 reference

https://api.crossref.org/works/10.1002%2FMRC.4527

21 January 2018

www.nmrdb.org : Resurrecting and Processing NMR Spectra On-line

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.2533/CHIMIA.2008.280

8 July 2023

Identifiers

10.1002/MRC.4527

1 reference

Europe PubMed Central

PubMed publication ID

22 June 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

22 June 2017

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

Retrieved from "https://www.wikidata.org/w/index.php?title=Q30489857&oldid=1956392830"