About This Database
Canonical SMILES
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Data name
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Canonical SMILES | ||
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DOI
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10.18908/lsdba.nbdc01530-02-003 |
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Description of data contents
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<span style="color: #222222; font-family: arial, sans-serif; font-size: small;">This RDF data includes Canonical SMILES of chemical substances registered in Nikkaji by using CHEMINF, SIO and other ontologies.</span> | ||
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Data file
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File name :
NBDC_NikkajiRDF_canonicalSmiles.ttl.gz
File URL :
File size :
140 MB
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Simple search URL
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Data acquisition method
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Canonical SMILES was generated from SDF by OpenBabel2.3.2 (http://openbabel.org/wiki/Category:Installation). |
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Data analysis method
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- |
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Number of data entries
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22,008,452 triples |
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| Data detail | |||
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