A free database of chemicals, covering around 26 million compounds integrated from 400 data sources.
The database APIs are free for academic users, or for non-academic non-commercial users. Commercial users may pay a fee but are encouraged to contact the ChemSpider help address (chemspider@rsc.org). The web services require an access token which is provided on request.
Bronnen
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Simple Search
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Structure Search
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Advanced Search
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Mass Spectrometry API - GetCompressedRecordsSdf
SDF
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Mass Spectrometry API - List data sources
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Mass Spectrometry API - Extended Chemical Info (auth required)
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Mass Spectrometry API - Extended info for multiple chemicals (auth required)
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Mass Spectrometry API - Get individual record
MOL
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Mass Spectrometry API - Get records
SDF
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Mass Spectrometry API - Search by formula (deprecated)
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Mass Spectrometry API - Search by formula (v2)
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Mass Spectrometry API - Search by formula asyncronously
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Mass Spectrometry API - Search by mass (deprecated)
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Mass Spectrometry API - Search by mass (v2)
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Mass Spectrometry API - Search by mass asyncronously
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Search API - Simple Search (auth required)
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Search API - CSID to Ext (auth required)
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Search API - Elements (auth required)
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Search API - Asynchronous Search (auth required)
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Search API - Asynchronous Search, partial result (auth required)
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Search API - Get compound's info (auth required)
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Search API - Get compound's thumbnail (auth required)
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Search API - Get data slice's compound ids (auth required)
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Search API - Get record's details
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Search API - Get record's image
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Search API - Intrinsic Properties (auth required)
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Search API - Search by LASSO (auth required)
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Search API - Search by MOL in dataset (auth required)
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Search API - Search by MOL (auth required)
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Search API - Predicted Properties (auth required)
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Search API - Similarity Search (auth required)
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Search API - Simple Search (auth required)
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Search API - Simple Search by list of chemical IDs (auth required)
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Search API - Structure Search (auth required)
3
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Search API - Substructure Search (auth required)
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Spectra API - Gett All Spectra Information
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Spectra API - Get spectra information for a specific compound
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Spectra API - Get spectra information for several compounds
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Spectra API - Get spectra information for a chemical
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InChI API - CSID to MOL (auth required)
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InChI API - Generate InChI
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InChI API - Generate InChI, InChIKey and AuxInfo
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InChI API - Convert InChIKey to ChemSpider ID
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InChI API - Convert InChIKey to InChI
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InChI API - Convert InChIKey to MOL
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InChI API - Convert InChIKey to ChemSpider ID
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InChI API - Convert InChI to InChIKey
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InChI API - Convert InChI to MOL
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InChI API - Convert InChI to SMILES
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InChI API - Check InChIKKet is valid
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InChI API - Convert MOL to InChIKey
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InChI API - Resolve InChIKey against ChemSpider
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InChI API - Convert SMILES to InChI
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OpenBabel API - Convert between formats
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Return Search results as RDF
application/rdf+xml
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Return RDF for a ChemSpider ID
application/rdf+xml
Additionele informatie
| Veld | Waarde |
|---|---|
| Bron | http://www.chemspider.com/ |
| Auteur | Royal Society of Chemistry |
| Beheerder | Royal Society of Chemistry |
Cite this
ChemSpider. Royal Society of Chemistry.
Retrieved 03:00, May 23, 2013 (UTC).
the Data Hub
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