The semantics of Chemical Markup Language (CML) for computational chemistry : CompChem (Q34369933)

1 August 2017

The semantics of Chemical Markup Language (CML) for computational chemistry : CompChem (English)

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1 August 2017

computational chemistry

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Chemical Markup Language

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author

Peter Murray-Rust

4

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1 August 2017

Weerapong Phadungsukanan

1

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PubMed ID

22870956

1 August 2017

Markus Kraft

2

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PubMed ID

22870956

1 August 2017

Joe A Townsend

3

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1 August 2017

7 August 2012

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Journal of Cheminformatics

1 August 2017

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1 August 2017

4

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1 August 2017

1

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1 August 2017

15

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Creative Commons Attribution 2.0 Generic

1 August 2017

start time

7 August 2012

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April 2022 Public Data File from Crossref

copyright status

copyrighted

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April 2022 Public Data File from Crossref

exact match

https://scigraph.springernature.com/pub.10.1186/1758-2946-4-15

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cites work

The semantics of Chemical Markup Language (CML): dictionaries and conventions

1 reference

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The semantic architecture of the World-Wide Molecular Matrix (WWMM)

6 July 2018

1 reference

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CMLLite: a design philosophy for CML.

6 July 2018

1 reference

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Open Babel: An open chemical toolbox

6 July 2018

1 reference

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First-principles thermochemistry for gas phase species in an industrial rutile chlorinator

6 July 2018

1 reference

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First-principles thermochemistry for the combustion of a TiCl4 and AlCl3 mixture

6 July 2018

1 reference

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First-principles thermochemistry for silicon species in the decomposition of tetraethoxysilane

6 July 2018

1 reference

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Chemical Markup, XML and the World-Wide Web. 8. Polymer Markup Language

6 July 2018

1 reference

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Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit

6 July 2018

1 reference

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Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML Vocabulary for Spectral Data

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3434037

Chemical Markup, XML, and the World Wide Web. 6. CMLReact, an XML Vocabulary for Chemical Reactions

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3434037

Chemical Markup, XML, and the World Wide Web. 4. CML Schema

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3434037

Chemical markup, XML and the World-Wide Web. 3. Toward a signed semantic chemical web of trust

6 July 2018

1 reference

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Chemical Markup, XML and the World-Wide Web. 2. Information Objects and the CMLDOM

6 July 2018

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Crossref

https://api.crossref.org/works/10.1186%2F1758-2946-4-15

First-principles thermochemistry for the production of TiO2 from TiCl4.

21 January 2018

1 reference

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https://api.crossref.org/works/10.1186%2F1758-2946-4-15

CML tools and information flow in atomic scale simulations

21 January 2018

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The GAMESS-UK electronic structure package: algorithms, developments and applications

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-4-15

RFC 2119: Key words for use in RFCs to Indicate Requirement Levels

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-4-15

Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-4-15

General atomic and molecular electronic structure system

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-4-15

2 January 2022

Identifiers

DOI

10.1186/1758-2946-4-15

1 reference

journals/jcheminf/PhadungsukananKTM12

1 August 2017

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

0 references

1 reference

1 August 2017

1 reference

PubMed ID

22870956