(Q28661732)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991755%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

title

In silico enzymatic synthesis of a 400,000 compound biochemical database for nontargeted metabolomics (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991755%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

0 references

1 reference

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991755%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

author name string

Lochana C Menikarachchi

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991755%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

Dennis W Hill

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991755%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

Mai A Hamdalla

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991755%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

David F Grant

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991755%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

language of work or name

English

0 references

publication date

12 September 2013

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991755%20AND%20SRC:MED&resulttype=core&format=json

Journal of Chemical Information and Modeling

8 March 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991755%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

volume

53

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991755%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

page(s)

2483-2492

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991755%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

issue

9

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991755%20AND%20SRC:MED&resulttype=core&format=json

describes a project that uses

8 March 2020

SQL

1 reference

26 June 2022

https://europepmc.org/article/PMC/PMC3819714

inferred from PubMed Central ID database lookup

cites work

Chemical structure identification in metabolomics: computational modeling of experimental features

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

HMDB 3.0--The Human Metabolome Database in 2013

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

Computational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanisms

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

DrugBank 3.0: a comprehensive resource for 'omics' research on drugs

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

HMDB: the Human Metabolome Database

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

LMSD: LIPID MAPS structure database

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

Computational prediction of human metabolic pathways from the complete human genome

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

KEGG: kyoto encyclopedia of genes and genomes

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

METLIN: a metabolite mass spectral database

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

Metabolomics analysis reveals large effects of gut microflora on mammalian blood metabolites

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

LIPID MAPS-Nature Lipidomics Gateway: An Online Resource for Students and Educators Interested in Lipids

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

The human microbiome is a source of therapeutic drug targets

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

MyCompoundID: using an evidence-based metabolome library for metabolite identification

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

How do metabolites differ from their parent molecules and how are they excreted?

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

BioSM: metabolomics tool for identifying endogenous mammalian biochemical structures in chemical structure space

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

MolFind: a software package enabling HPLC/MS-based identification of unknown chemical structures

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

An accelerated workflow for untargeted metabolomics using the METLIN database

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

Correlation of Ecom50 values between mass spectrometers: effect of collision cell radiofrequency voltage on calculated survival yield.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

Network context and selection in the evolution to enzyme specificity.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

Development of Ecom₅₀ and retention index models for nontargeted metabolomics: identification of 1,3-dicyclohexylurea in human serum by HPLC/mass spectrometry

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

Towards understanding how molecular networks evolve in plants

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

Origins of specificity and promiscuity in metabolic networks

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

A novel bisretinoid of retina is an adduct on glycerophosphoethanolamine

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

Extending biochemical databases by metabolomic surveys

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

Prediction of metabolic reactions based on atomic and molecular properties of small-molecule compounds.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

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

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

Metabonomic investigation of liver profiles of nonpolar metabolites obtained from alcohol-dosed rats and mice using high mass accuracy MSn analysis

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

Lipidomics era: accomplishments and challenges.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

PathPred: an enzyme-catalyzed metabolic pathway prediction server

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

Identification of hypoxanthine as a urine marker for non-Hodgkin lymphoma by low-mass-ion profiling

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

In silico tools for sharing data and knowledge on toxicity and metabolism: derek for windows, meteor, and vitic

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

The University of Minnesota Biocatalysis/Biodegradation Database: improving public access

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

Use of liquid chromatography/tandem mass spectrometry and online databases for identification of phosphocholines and lysophosphatidylcholines in human red blood cells.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

Structural basis for ligand promiscuity in cytochrome P450 3A4.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

Computer systems for the prediction of xenobiotic metabolism

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

Pragmatic approaches to using computational methods to predict xenobiotic metabolism.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

Metabolite identification in Synechococcus sp. PCC 7002 using untargeted stable isotope assisted metabolite profiling

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

CE50: quantifying collision induced dissociation energy for small molecule characterization and identification.

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

Metabolic Pathfinding Using RPAIR Annotation

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

Towards the creation of an international toxicology information centre.

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

Using Absolute and Relative Reasoning in the Prediction of the Potential Metabolism of Xenobiotics

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3819714

Application of Associative Neural Networks for Prediction of Lipophilicity in ALOGPS 2.1 Program

27 November 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23991755

12 December 2020

inferred from PubMed ID database lookup

Comprehensive chemical analysis of Venenum Bufonis by using liquid chromatography/electrospray ionization tandem mass spectrometry

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23991755

12 December 2020

inferred from PubMed ID database lookup

Systematic analysis of the content of 502 polyphenols in 452 foods and beverages: an application of the phenol-explorer database

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23991755

12 December 2020

inferred from PubMed ID database lookup

Identifiers

DOI

10.1021/CI400368V

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991755%20AND%20SRC:MED&resulttype=core&format=json

journals/jcisd/MenikarachchiHHMG13

8 March 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991755%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991755%20AND%20SRC:MED&resulttype=core&format=json