(Q27702925)

4

0 references

Mona Elbadawi-Sidhu

3

object named as

Mona Elbadawi-Sidhu

0 references

Linda J. Broadbelt

6

object named as

Linda J Broadbelt

0 references

author name string

James G Jeffryes

1

0 references

Ricardo L Colastani

2

0 references

Thomas D Niehaus

5

0 references

Andrew D Hanson

7

0 references

Keith E J Tyo

9

0 references

Christopher S Henry

Journal of Cheminformatics

10

0 references

language of work or name

English

0 references

publication date

2015

0 references

published in

0 references

volume

7

0 references

issue

1

0 references

page(s)

44

0 references

cites work

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20 March 2017

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20 March 2017

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20 March 2017

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MassBank: a public repository for sharing mass spectral data for life sciences

20 March 2017

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Catalytic promiscuity and the evolution of new enzymatic activities

20 March 2017

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CASMI: And the Winner is . .

20 March 2017

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

20 March 2017

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Natural product-likeness score revisited: an open-source, open-data implementation

20 March 2017

1 reference

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The University of Minnesota Pathway Prediction System: multi-level prediction and visualization

20 March 2017

1 reference

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Mass-spectrometry-based metabolomics: limitations and recommendations for future progress with particular focus on nutrition research

20 March 2017

1 reference

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A directed-overflow and damage-control N-glycosidase in riboflavin biosynthesis

7 April 2017

1 reference

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Systematic applications of metabolomics in metabolic engineering

29 September 2017

1 reference

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In silico prediction and automatic LC-MS(n) annotation of green tea metabolites in urine

29 September 2017

1 reference

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29 September 2017

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29 September 2017

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A systematic comparison of the MetaCyc and KEGG pathway databases

29 September 2017

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

29 September 2017

1 reference

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EcoCyc: fusing model organism databases with systems biology

29 September 2017

1 reference

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

29 September 2017

1 reference

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Network context and selection in the evolution to enzyme specificity.

29 September 2017

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Metabolite identification and molecular fingerprint prediction through machine learning.

29 September 2017

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Mass spectral reference libraries: an ever-expanding resource for chemical identification

29 September 2017

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The rise of chemodiversity in plants

29 September 2017

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Innovation: Metabolomics: the apogee of the omics trilogy

29 September 2017

1 reference

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MetRxn: a knowledgebase of metabolites and reactions spanning metabolic models and databases

29 September 2017

1 reference

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BKM-react, an integrated biochemical reaction database

29 September 2017

1 reference

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Extending biochemical databases by metabolomic surveys

29 September 2017

1 reference

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The moderately efficient enzyme: evolutionary and physicochemical trends shaping enzyme parameters

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4550642

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

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4550642

Applications of liquid chromatography coupled to mass spectrometry-based metabolomics in clinical chemistry and toxicology: A review

29 September 2017

1 reference

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PathPred: an enzyme-catalyzed metabolic pathway prediction server

29 September 2017

1 reference

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Data-driven extraction of relative reasoning rules to limit combinatorial explosion in biodegradation pathway prediction

29 September 2017

1 reference

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Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit

29 September 2017

1 reference

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Theoretical considerations and computational analysis of the complexity in polyketide synthesis pathways.

29 September 2017

1 reference

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MIDAS: a database-searching algorithm for metabolite identification in metabolomics.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4550642

Metabolite Identification through Machine Learning- Tackling CASMI Challenge Using FingerID

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4550642

Metabolite and reaction inference based on enzyme specificities

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4550642

Genome-scale thermodynamic analysis of Escherichia coli metabolism

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4550642

Systematic structural characterization of metabolites in Arabidopsis via candidate substrate-product pair networks

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4550642

Discovery and analysis of novel metabolic pathways for the biosynthesis of industrial chemicals: 3-hydroxypropanoate

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4550642

From kinase to cyclase: an unusual example of catalytic promiscuity modulated by metal switching

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4550642

Estimation of Kováts retention indices using group contributions

27 November 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/26322134

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Rethinking Mass Spectrometry-Based Small Molecule Identification Strategies in Metabolomics

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/26322134

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

SMILES. 2. Algorithm for generation of unique SMILES notation

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-015-0087-1

10.1186/S13321-015-0087-1

2 January 2022

Identifiers

DOI

1 reference

journals/jcheminf/JeffryesCEKNBHF15

DBLP publication ID

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/s13321-015-0087-1

1 reference

1 reference

PubMed publication ID

26322134

1 reference