ChemSpider
Chemspider is a chemical database. The system was first launched in March 2007 in a beta release form and transitioned to release in March 2008. ChemSpider has expanded the generic support of a chemistry database to include support of the Wikipedia chemical structure collection via their WiChempedia implementation.
[] DatabaseThe database contains more than 20 million unique molecules from the following sources
The database can be updated with user contributions including chemical structure deposition, spectra deposition and user curation. [] SearchingA number of available search modules are provided
[] Chemistry Document Mark-upThe ChemSpider database has been used in combination with text mining as the basis of chemistry document markup. ChemMantis[1], 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. [] Commercial versus freeThe ChemSpider service is itself offered free of charge. Search hits include both free information and pointers into commercial databases that may require a subscription for access. As of January 2008 the site does not carry paid advertisements but it does acknowledge some sponsors who donate to support the site. A single corporation called ChemZoo Inc. operates both ChemSpider and a related service called ChemRefer. The latter is a text search engine which indexes chemical and pharmaceutical literature, a sort of Google for chemicals, but without the structure searching offered by ChemSpider. [] ServicesA number of services are made available online. These include the conversion of chemical names to chemical structures, the generation of SMILES and InChI strings as well as the prediction of many physicochemical parameters and integration to a web service allowing NMR prediction. [] See also[] References
Chemspider is a chemical database. The system was first launched in March 2007 in a beta release form and transitioned to release in March 2008. ChemSpider has expanded the generic support of a chemistry database to include support of the Wikipedia chemical structure collection via their WiChempedia implementation.
[] DatabaseThe database contains more than 20 million unique molecules from the following sources
The database can be updated with user contributions including chemical structure deposition, spectra deposition and user curation. [] SearchingA number of available search modules are provided
[] Chemistry Document Mark-upThe ChemSpider database has been used in combination with text mining as the basis of chemistry document markup. ChemMantis[1], 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. [] Commercial versus freeThe ChemSpider service is itself offered free of charge. Search hits include both free information and pointers into commercial databases that may require a subscription for access. As of January 2008 the site does not carry paid advertisements but it does acknowledge some sponsors who donate to support the site. A single corporation called ChemZoo Inc. operates both ChemSpider and a related service called ChemRefer. The latter is a text search engine which indexes chemical and pharmaceutical literature, a sort of Google for chemicals, but without the structure searching offered by ChemSpider. [] ServicesA number of services are made available online. These include the conversion of chemical names to chemical structures, the generation of SMILES and InChI strings as well as the prediction of many physicochemical parameters and integration to a web service allowing NMR prediction. [] See also[] References
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