(Q28660148)

April 2022 Public Data File from Crossref

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cites work

InChI, the IUPAC International Chemical Identifier

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

Proposed minimum reporting standards for chemical analysis

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

InChIKey collision resistance: an experimental testing

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

Understanding and classifying metabolite space and metabolite-likeness

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

Open Babel: An open chemical toolbox

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

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

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

In silico fragmentation for computer assisted identification of metabolite mass spectra

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

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

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

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

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

Critical assessment of methods of protein structure prediction (CASP)--round IX

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

KEGG for integration and interpretation of large-scale molecular data sets

6 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

METLIN: a metabolite mass spectral database

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

Chemical Similarity Searching

7 April 2017

1 reference

https://api.crossref.org/works/10.3390%2FMETABO3020412

ChemSpider: An Online Chemical Information Resource

28 May 2017

1 reference

https://api.crossref.org/works/10.3390%2FMETABO3020412

Tackling CASMI 2012: Solutions from MetFrag and MetFusion

28 May 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

The Critical Assessment of Small Molecule Identification (CASMI): Challenges and Solutions

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

Molecular Formula Identification with SIRIUS.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

Metabolite Identification through Machine Learning- Tackling CASMI Challenge Using FingerID

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

Small Molecule Identification with MOLGEN and 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=3901266

CASMI-The Small Molecule Identification Process from a Birmingham Perspective

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

Applying Tandem Mass Spectral Libraries for Solving the Critical Assessment of Small Molecule Identification (CASMI) LC/MS Challenge 2012.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

MetFusion: integration of compound identification strategies

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

Automated pipeline for de novo metabolite identification using mass-spectrometry-based metabolomics

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

Metabolite identification and molecular fingerprint prediction through machine learning.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

Computing fragmentation trees from tandem mass spectrometry data

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

On the inter-instrument and inter-laboratory transferability of a tandem mass spectral reference library: 1. Results of an Austrian multicenter study.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901266

Unsupervised Data Base Clustering Based on Daylight's Fingerprint and Tanimoto Similarity: A Fast and Automated Way To Cluster Small and Large Data Sets

3 June 2018

1 reference

https://api.crossref.org/works/10.3390%2FMETABO3020412

Database supported candidate search for metabolite identification.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FMETABO3020412

SIRIUS: decomposing isotope patterns for metabolite identification

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FMETABO3020412

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/10.3390%2FMETABO3020412

Consensus Structure Elucidation Combining GC/EI-MS, Structure Generation, and Calculated Properties

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FMETABO3020412