(Q42156135)

17 October 2017

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

1 reference

17 October 2017

1

1 reference

17 October 2017

6

1 reference

17 October 2017

7

1 reference

17 October 2017

3

James B McAlpine

1 reference

17 October 2017

David C Lankin

2

1 reference

17 October 2017

Matthias Niemitz

series ordinal

4

1 reference

17 October 2017

Samuli-Petrus Korhonen

series ordinal

5

1 reference

17 October 2017

language of work or name

English

0 references

publication date

6 September 2013

1 reference

Journal of Organic Chemistry

17 October 2017

1 reference

17 October 2017

78

1 reference

17 October 2017

19

1 reference

17 October 2017

9963-9968

1 reference

HiFSA fingerprinting applied to isomers with near-identical NMR spectra: the silybin/isosilybin case

17 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3812940

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3812940

Complete 1H NMR spectral analysis of ten chemical markers of Ginkgo biloba.

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3812940

Quantitative 1H NMR. Development and potential of an analytical method: an update

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3812940

Crystallography Open Database – an open-access collection of crystal structures

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3812940

The tandem of full spin analysis and qHNMR for the quality control of botanicals exemplified with Ginkgo biloba.

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3812940

Process and reaction monitoring by low-field NMR spectroscopy

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3812940

Spectroscopic and statistical techniques for information recovery in metabonomics and metabolomics

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3812940

Spectral analysis of 1H coupled 13C spectra of the amino acids: adaptive spectral library of amino acid 13C isotopomers and positional fractional 13C enrichments

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3812940

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3812940

HMDB: the Human Metabolome Database

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3812940

The Cambridge Structural Database: a quarter of a million crystal structures and rising

29 May 2018

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3812940

29 May 2018

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3812940

17 August 2018

The Protein Data Bank

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3812940

Atomic structure of progesterone complexed with its receptor

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3812940

A computational strategy for the deconvolution of NMR spectra with multiplet structures and constraints: analysis of overlapping 13C-2H multiplets of 13C enriched metabolites from cell suspensions incubated in deuterated media.

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3812940

Crystal structure analysis of deamino-oxytocin: conformational flexibility and receptor binding

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3812940

Complete (1)H and (13)C NMR chemical shift assignments of mono-, di-, and trisaccharides as basis for NMR chemical shift predictions of polysaccharides using the computer program casper

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3812940

Complete assignments of the (1)H and (13)C chemical shifts and J(H,H) coupling constants in NMR spectra of D-glucopyranose and all D-glucopyranosyl-D-glucopyranosides

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3812940

Complete (1)H NMR spectral fingerprint of huperzine A.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3812940

Metabolite identification via the Madison Metabolomics Consortium Database

17 August 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24007197

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

ChemSpider: An Online Chemical Information Resource

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/ED100697W

10 July 2022

Identifiers

DOI

10.1021/JO4011624

1 reference

17 October 2017

1 reference

17 October 2017

1 reference