RDF data of Japan Chemical Substance Dictionary (Nikkaji) described by standard ontologies.
Data name | README |
Description of data contents | HTML file to describe "NBDC NikkajiRDF" data. |
File | README_e.html(English) |
Data name | Basic Information |
Description of data contents | This RDF data includes the basic information of 3.4 million or more chemical substances, such as NIkkaji Number, molecular formula, molecular weight, English/Japanese name, and MOLfiles. |
File | NBDC_NikkajiRDF_main.tar.gz (873 MB) |
Data name | InChI and InChIKey |
Description of data contents | This RDF data includes InChI and InChIKey of chemical substances registered in Nikkaji by using CHEMINF, SIO and other ontologies. |
File | NBDC_NikkajiRDF_InChI.tar.gz (544 MB) |
Data name | Canonical SMILES |
Description of data contents | This RDF data includes Canonical SMILES of chemical substances registered in Nikkaji by using CHEMINF, SIO and other ontologies. |
File | NBDC_NikkajiRDF_canonicalSmiles.ttl.gz (140 MB) |
Data name | Links to J-GLOBAL |
Description of data contents | This RDF data includes information of links to other databases, such as J-GLOBAL which contains information of chemical substances, genes, researchers, literature, patents, and other scientific and technologies information (http://jglobal.jst.go.jp/). |
File | NBDC_NikkajiRDF_link2JGLOBAL.ttl.gz (1.8 MB) |
Data name | Molecular Formula and Molecular Weight |
Description of data contents | This RDF data includes molecular formula and molecular weight of chemical substances registered in Nikkaji by using CHEMINF, SIO and other ontologies. |
File | NBDC_NikkajiRDF_MFMW.tar.gz (404 MB) |
Data name | Links to Other DBs (based on UniChem) |
Description of data contents | This RDF data includes information of links between Nikkaji substances and chemical substances registered in other databases* by using skos:closeMatch. This is based on a work at https://www.ebi.ac.uk/unichem/. *: ChEMBL, DrugBank, PDB, Guide to Pharmacology, KEGG, ChEBI, ZINC, Gene Expression Atlas, PharmGKB, Human Metabolome Database (HMDB), PubChem, NMRShiftDB, Aggregated Computational Toxicology Resource (ACToR), BindingDB, and KNApSAcK. |
File | NBDC_NikkajiRDF_link2OtherDBs_basedOnUniChem.gz (56 MB) |
Data name | Links to Other DBs (based on PubChem) |
Description of data contents | This RDF data includes information of links between Nikkaji substances and PubChem substances, compounds and GlyTouCan (https://glytoucan.org/) by using skos:exactMatch and skos:closeMatch. This is a result of BioHackathon 2015 (http://2015.biohackathon.org/hackathon). |
File | NBDC_NikkajiRDF_link2OtherDBs_basedOnPubChem.gz (104 MB) |
You may use this database in compliance with the terms and conditions of the license described below. The license specifies the license terms regarding the use of this database and the requirements you must follow in using this database.
The license for this database is specified in the Creative Commons Attribution 2.1 Japan.
If you use data from this database, please be sure attribute this database as follows: "NBDC NikkajiRDF © Japan Science and Technology Agency licensed under CC Attribution 2.1 Japan".
The summary of the Creative Commons Attribution 2.1 Japan is found here.
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E-mail: support[at]biosciencedbc[dot]jp
Date | Update contents |
---|---|
2016/03/10 |
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2015/10/23 |
|
2015/08/31 | NBDC NikkajiRDF English archive site is opened. |
2005/03/31 | NikkajiWeb (http://nikkajiweb.jst.go.jp/) is opened. |
E-mail: support[at]biosciencedbc[dot]jp