Computer-aided Dereplication and Structure Elucidation of Natural Products at the University of Reims (Q38815244)

6 September 2017

Computer-aided Dereplication and Structure Elucidation of Natural Products at the University of Reims (English)

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computer-aided structure elucidation

6 September 2017

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7

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6 September 2017

6

Jean-Hugues Renault

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6 September 2017

5

Jane Hubert

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6 September 2017

Ali Bakiri

1

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6 September 2017

Bertrand Plainchont

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2

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6 September 2017

Vicente de Paulo Emerenciano

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3

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6 September 2017

Romain Reynaud

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4

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6 September 2017

27 April 2017

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6 September 2017

Molecular Informatics

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Structure verification through computer-assisted spectral assignment of NMR spectra

6 September 2017

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https://api.crossref.org/works/10.1002%2FMINF.201700027

Identification of natural metabolites in mixture: a pattern recognition strategy based on (13)C NMR.

21 January 2018

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https://api.crossref.org/works/10.1002%2FMINF.201700027

Reverse pharmacognosy: another way to harness the generosity of nature

21 January 2018

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https://api.crossref.org/works/10.1002%2FMINF.201700027

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

Combined LC/UV/MS and NMR Strategies for the Dereplication of Marine Natural Products

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

Exploiting the Complementarity between Dereplication and Computer-Assisted Structure Elucidation for the Chemical Profiling of Natural Cosmetic Ingredients: Tephrosia purpurea as a Case Study.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

13C NMR and LC-MS Profiling of Stilbenes from Elicited Grapevine Hairy Root Cultures.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

Dereplication of depsides from the lichen Pseudevernia furfuracea by centrifugal partition chromatography combined to 13C nuclear magnetic resonance pattern recognition.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

Computer-assisted structure verification and elucidation tools in NMR-based structure elucidation

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

Recent developments in automated structure elucidation of natural products

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

Heteronuclear two-bond correlation: suppressing heteronuclear three-bond or higher NMR correlations while enhancing two-bond correlations even for vanishing 2J(CH).

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

Spectral aliasing: a super zoom for 2D-NMR spectra. Principles and applications.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

Non-uniform sampling: post-Fourier era of NMR data collection and processing

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

Essential oils from Piper cernuum and Piper regnellii: antimicrobial activities and analysis by GC/MS and 13C-NMR.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

Open Babel: An open chemical toolbox

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

The structural elucidation of a novel iridoid derivative from Tachiadenus longiflorus (Gentianaceae) using the LSD programme and quantum chemical computations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

Delevoyin C, a tetranortriterpenoid from Entandrophragma delevoyi.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

Novelseco-Dibenzopyrrocoline Alkaloid fromCryptocaryaoubatchensis

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

“Connectivist” approach to organic structure determination Lsd-program assisted Nmr analysis of the insect antifeedant Azadirachtin

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

Computer-aided spectral assignment in nuclear magnetic resonance spectroscopy

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

Logic for structure determination

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

Fast Identification of Radical Scavengers from Securigera varia by Combining 13C-NMR-Based Dereplication to Bioactivity-Guided Fractionation

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

Cembranolides from the stem bark of the southern African medicinal plant, Croton gratissimus (Euphorbiaceae)

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

Limonoid derivatives from Astrotrichilia voamatata

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

Computer-assisted structural elucidation. Alkaloids with a novel diaza-adamantane skeleton from the seeds of Acosmium panamense (Fabaceae)

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700027

Bio-Guided Isolation of Methanol-Soluble Metabolites of Common Spruce (Picea abies) Bark by-Products and Investigation of Their Dermo-Cosmetic Properties

21 January 2018

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201700027

Computer-aided method for identification of components in essential oils by 13 C NMR spectroscopy

8 April 2023

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201700027

8 April 2023

Identifiers

DOI

10.1002/MINF.201700027

1 reference

6 September 2017

1 reference