(Q36122148)

12 August 2017

The use of graph matching algorithms to identify biochemical substructures in synthetic chemical compounds: Application to metabolomics (English)

1 reference

12 August 2017

1 reference

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26448899%20AND%20SRC:MED&resulttype=core&format=json

4 June 2020

author name string

Mai Hamdalla

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26448899%20AND%20SRC:MED&resulttype=core&format=json

4 June 2020

David Grant

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26448899%20AND%20SRC:MED&resulttype=core&format=json

4 June 2020

Dennis Hill

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26448899%20AND%20SRC:MED&resulttype=core&format=json

4 June 2020

Sanguthevar Rajasekaran

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26448899%20AND%20SRC:MED&resulttype=core&format=json

4 June 2020

Reda Ammar

6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26448899%20AND%20SRC:MED&resulttype=core&format=json

4 June 2020

language of work or name

1 reference

1 February 2012

1 reference

IEEE ... International Conference on Computational Advances in Bio and Medical Sciences : [proceedings]. IEEE International Conference on Computational Advances in Bio and Medical Sciences

12 August 2017

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26448899%20AND%20SRC:MED&resulttype=core&format=json

4 June 2020

volume

2012

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26448899%20AND%20SRC:MED&resulttype=core&format=json

Advances in structure elucidation of small molecules using mass spectrometry

4 June 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4593623

Database searching for structural identification of metabolites in complex biofluids for mass spectrometry-based metabonomics

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4593623

Navigating the human metabolome for biomarker identification and design of pharmaceutical molecules.

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4593623

Dealing with the unknown: metabolomics and metabolite atlases

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4593623

Small Molecule Subgraph Detector (SMSD) toolkit

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4593623

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

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4593623

Global mapping of pharmacological space

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4593623

Improving the hit-to-lead process: data-driven assessment of drug-like and lead-like screening hits

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4593623

Navigating chemical space for biology and medicine

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4593623

Pursuing the leadlikeness concept in pharmaceutical research.

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4593623

A structure-based anatomy of the E.coli metabolome

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4593623

Nonleadlikeness and leadlikeness in biochemical screening

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4593623

Metabolomics – the link between genotypes and phenotypes

2 October 2017

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4593623

2 October 2017

https://pubmed.ncbi.nlm.nih.gov/26448899

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

The KEGG databases at GenomeNet

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4593623

Potential drugs and nondrugs: prediction and identification of important structural features

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4593623

Neighborhood behavior: a useful concept for validation of "molecular diversity" descriptors

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4593623

A method for comprehensive analysis of urinary acylglycines by using ultra-performance liquid chromatography quadrupole linear ion trap mass spectrometry

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4593623

Capturing structure-activity relationships from chemogenomic spaces

2 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4593623

Identification of biological activity profiles using substructural analysis and genetic algorithms.

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4593623

Chemical space and biology

23 September 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/26448899

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI00057A005

10.1109/ICCABS.2012.6182637

11 September 2021

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26448899%20AND%20SRC:MED&resulttype=core&format=json

4 June 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26448899%20AND%20SRC:MED&resulttype=core&format=json

4 June 2020

1 reference