About This Database
Canonical SMILES
| Data description | |||
Data name
|
Canonical SMILES | ||
|---|---|---|---|
|
DOI
|
10.18908/lsdba.nbdc01530-02-003.V011 |
||
|
Description of data contents
|
This RDF data contains canonical SMILES of chemical substances registered in Nikkaji by using CHEMINF, SIO and other ontologies. We recommend using this RDF together with the Core RDF. | ||
|
Data file
|
File name :
NBDC_NikkajiRDF_SMILES.tar.gz
File URL :
File size :
149 MB
|
||
|
Simple search URL
|
- | ||
|
Data acquisition method
|
Canonical SMILES were obtained from J-GLOBAL Chemical Substance Database. Only available for substances with 'Substance Type: Decided Structure'. |
||
|
Data analysis method
|
- |
||
|
Number of data entries
|
3,493,208 compounds |
||
| Data detail | |||
|
|||