(Q42156231)

17 October 2017

Blind trials of computer-assisted structure elucidation software (English)

1 reference

17 October 2017

3

1 reference

17 October 2017

2

Mikhail E Elyashberg

1 reference

17 October 2017

Arvin Moser

1

1 reference

17 October 2017

Kirill A Blinov

series ordinal

4

1 reference

17 October 2017

Joseph C Dimartino

series ordinal

5

1 reference

17 October 2017

9 February 2012

1 reference

Journal of Cheminformatics

17 October 2017

1 reference

17 October 2017

4

1 reference

17 October 2017

1

1 reference

17 October 2017

5

1 reference

Creative Commons Attribution 2.0 Generic

17 October 2017

start time

9 February 2012

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

1 reference

April 2022 Public Data File from Crossref

exact match

https://scigraph.springernature.com/pub.10.1186/1758-2946-4-5

0 references

cites work

Mutanobactin A from the human oral pathogen Streptococcus mutans is a cross-kingdom regulator of the yeast-mycelium transition

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3349476

Computer-assisted methods for molecular structure elucidation: realizing a spectroscopist's dream

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3349476

Anticancer agents from the Australian tropical rainforest: Spiroacetals EBC-23, 24, 25, 72, 73, 75 and 76.

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3349476

PubChem: a public information system for analyzing bioactivities of small molecules

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3349476

Berkelic acid, a novel spiroketal with selective anticancer activity from an acid mine waste fungal extremophile

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3349476

Recent developments in automated structure elucidation of natural products

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3349476

Psymberin, a potent sponge-derived cytotoxin from Psammocinia distantly related to the pederin family

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3349476

Structure Elucidator: a versatile expert system for molecular structure elucidation from 1D and 2D NMR data and molecular fragments

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3349476

Application of a new expert system for the structure elucidation of natural products from their 1D and 2D NMR data

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3349476

A systematic approach for the generation and verification of structural hypotheses

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3349476

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

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3349476

Are deterministic expert systems for computer-assisted structure elucidation obsolete?

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3349476

Dendridine A, a bis-indole alkaloid from a marine sponge Dictyodendrilla Species

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3349476

An expert system for automated structure elucidation utilizing 1H-1H, 13C-1H and 15N-1H 2D NMR correlations.

17 August 2018

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3349476

17 August 2018

https://api.crossref.org/works/10.1186%2F1758-2946-4-5

"Inosaminoacids": novel inositol-amino acid hybrid structures accessed by microbial arene oxidation

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22321892

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Computer-assisted structure elucidation of natural products with limited 2D NMR data: application of the StrucEluc system

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-4-5

HOSE — a novel substructure code

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-4-5

Case, a computer model of the structure elucidation process

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-4-5

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

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-4-5

2 January 2022

Identifiers

DOI

10.1186/1758-2946-4-5

1 reference

journals/jcheminf/MoserEWBD12

17 October 2017

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1 reference

9 September 2019

https://scigraph.springernature.com/pub.10.1186/1758-2946-4-5

1 reference

17 October 2017

PubMed publication ID

22321892

1 reference