ChemSpider

Source: Wikipedia, the free encyclopedia.
ChemSpider
Content
DescriptionMore than 100 million chemical structures, properties and associated information
Contact
Research center
Cambridge, United Kingdom
Laboratory
Access
Websitewww.chemspider.com
Miscellaneous
LicenseCreative Commons Attribution Share-alike[2]

ChemSpider is a freely accessible online database of chemicals owned by the Royal Society of Chemistry.[3][4][5][6][7] It contains information on more than 100 million molecules from over 270 data sources, each of them receiving a unique identifier called ChemSpider Identifier.

Sources

The database sources include:[8]

Professional databases

Crowdsourcing

The ChemSpider database can be updated with user contributions including

text-mining applications of the biomedical and chemical literature.[10]

However,

right to fork is not guaranteed and the project can not be considered free/open
.

Features

Searching

A number of available search modules are provided:

Chemistry document mark-up

The ChemSpider database has been used in combination with text mining as the basis of chemistry document markup. ChemMantis,[14] the Chemistry Markup And Nomenclature Transformation Integrated System uses algorithms to identify and extract chemical names from documents and web pages and converts the chemical names to chemical structures using name-to-structure conversion algorithms and dictionary look-ups in the ChemSpider database. The result is an integrated system between chemistry documents and information look-up via ChemSpider into over 150 data sources.

SyntheticPages

SyntheticPages is a free interactive database of

peer-review like a scientific journal article but comments can be made by logged-in users. The comments are also moderated by scientific editors. The intention is to collect practical experience of how to conduct useful chemical synthesis in the lab. While experimental methods published in an ordinary academic journal are listed formally and concisely, the procedures in ChemSpider SyntheticPages are given with more practical detail. Informality is encouraged. Comments by submitters are included as well. Other publications with comparable amounts of detail include Organic Syntheses and Inorganic Syntheses. The SyntheticPages site was originally set up by Professors Kevin Booker-Milburn (University of Bristol), Stephen Caddick (University College London), Peter Scott (University of Warwick) and Max Hammond. In February 2010 a merger was announced[16]
with the Royal Society of Chemistry's chemical structure search engine ChemSpider and the formation of ChemSpider|SyntheticPages (CS|SP).

Other services

A number of services are made available online. These include the conversion of chemical names to

NMR
prediction.

History

ChemSpider was acquired by the

beta release
form and transitioned to release in March 2008.

Open PHACTS

ChemSpider served as the chemical compound repository as part of the

semantic web approach to address bottlenecks in small molecule drug discovery - disparate information sources, lack of standards and information overload.[18]

See also

References

  1. PMID 22460877
    .
  2. ^ "ChemSpider Blog » Blog Archive » ChemSpider Adopts Creative Commons Licenses". www.chemspider.com. Archived from the original on 2015-04-02. Retrieved 2014-03-21.
  3. ^ Antony John Williams (Jan–Feb 2008). "ChemSpider and Its Expanding Web: Building a Structure-Centric Community for Chemists". Chemistry International. 30 (1).
  4. PMID 18428094
    .
  5. PMID 18464701
    .
  6. ISBN 9781118026038
    .
  7. doi:10.1021/ed100697w
    .
  8. Chemspider
    . Retrieved May 16, 2019.
  9. ^ "ChemSpider Blog » Blog Archive » The US EPA DSSTox Browser Connects to ChemSpider". ChemSpider. August 23, 2008. Archived from the original on 7 November 2017. Retrieved 7 November 2017.
  10. PMID 20331846
    .
  11. ^ "ChemSpider Blog » Blog Archive » Who Would Like to Have the Entire ChemSpider Database?". www.chemspider.com. Archived from the original on 2015-09-24. Retrieved 2014-04-18.
  12. ^ "ChemSpider on the App Store". App Store.
  13. ^ "ChemSpider Mobile - Android Apps on Google Play". play.google.com.
  14. ^ Welcome ChemMantis to ChemZoo and a Call for Contributions from the Community, 2008-10-23, A. Williams,blog post Archived 2015-09-24 at the Wayback Machine
  15. ^ "ChemSpider SyntheticPages". Royal Society of Chemistry. Retrieved 26 June 2012.
  16. ^ "ChemSpider and SyntheticPages support synthetic chemistry". RSC Publishing. Royal Society of Chemistry. 2010-02-05. Archived from the original on 26 July 2012. Retrieved 2012-06-26.
  17. ^ "RSC acquires ChemSpider". Royal Society of Chemistry. 11 May 2009. Retrieved 2009-05-11.
  18. PMID 22683805
    .
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