OMG: Open Molecule Generator (Q27499209)

6

0 references

Theo Reijmers

4

object named as

Theo Reijmers

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author name string

Julio E Peironcely

1

0 references

Miguel Rojas-Chertó

2

0 references

Davide Fichera

3

0 references

Theo Reijmers

4

0 references

Leon Coulier

Journal of Cheminformatics

5

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language of work or name

English

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publication date

17 September 2012

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published in

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volume

4

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issue

1

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page(s)

21

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copyright license

Creative Commons Attribution 2.0 Generic

start time

17 September 2012

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

1 reference

April 2022 Public Data File from Crossref

describes a project that uses

Chemistry Development Kit

0 references

Java

0 references

cites work

Metabolite Identification Using Automated Comparison of High-Resolution Multistage Mass Spectral Trees

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3558358

HMDB: a knowledgebase for the human metabolome

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3558358

The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics

20 March 2017

has goal

uses method in cited work

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3558358

20 March 2017

CiteULike CiTO annotations

Understanding and classifying metabolite space and metabolite-likeness

2022

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3558358

Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics

20 March 2017

has goal

uses method in cited work

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3558358

20 March 2017

CiteULike CiTO annotations

Advances in structure elucidation of small molecules using mass spectrometry

2022

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3558358

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3558358

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

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3558358

970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3558358

SENECA: A Platform-Independent, Distributed, and Parallel System for Computer-Assisted Structure Elucidation in Organic Chemistry

7 April 2017

2 references

https://api.crossref.org/works/10.1186/1758-2946-4-21

22 April 2017

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3558358

Chemoinformatics: past, present, and future

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3558358

The next wave in metabolome analysis

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3558358

MOLGEN-CID--A canonizer for molecules and graphs accessible through the Internet

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3558358

Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry

29 September 2017

1 reference

https://api.crossref.org/works/10.1186/1758-2946-4-21

Evaluation of coupling reversed phase, aqueous normal phase, and hydrophilic interaction liquid chromatography with Orbitrap mass spectrometry for metabolomic studies of human urine.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186/1758-2946-4-21

The use of MS classifiers and structure generation to assist in the identification of unknowns in effect-directed analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1186/1758-2946-4-21

Automated strategies to identify compounds on the basis of GC/EI-MS and calculated properties

21 January 2018

1 reference

https://api.crossref.org/works/10.1186/1758-2946-4-21

The signature molecular descriptor. 4. Canonizing molecules using extended valence sequences.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186/1758-2946-4-21

Enumerating treelike chemical graphs with given path frequency

21 January 2018

1 reference

https://api.crossref.org/works/10.1186/1758-2946-4-21

Efficient enumeration of stereoisomers of outerplanar chemical graphs using dynamic programming

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3558358

Comprehensive analytical strategy for biomarker identification based on liquid chromatography coupled to mass spectrometry and new candidate confirmation tools

27 November 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22985496

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Stochastic Generator of Chemical Structure. 1. Application to the Structure Elucidation of Large Molecules

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-4-21

“Connectivist” approach to organic structure determination Lsd-program assisted Nmr analysis of the insect antifeedant Azadirachtin

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-4-21

Computer Generation of Molecular Structures by the SMOG Program

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-4-21

Assemble 2.0: a structure generator

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-4-21

Applications of artificial intelligence for chemical inference. 37. GENOA: a computer program for structure elucidation utilizing overlapping and alternative substructures

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-4-21

Isomorph-Free Exhaustive Generation

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-4-21

2 January 2022

Identifiers

DOI

10.1186/1758-2946-4-21

1 reference

journals/jcheminf/PeironcelyRFRCFH12

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1033396237

0 references

1 reference

1 reference

PubMed publication ID

22985496

1 reference