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Data name Database name DOI Description of data contents Data acquisition method Data analysis method Data detail
Links to J-GLOBAL NBDC Nikkaji RDF 10.18908/lsdba.nbdc01530-02-004.V011

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/).

This RDF data was constructed from the data collected by J-GLOBAL knowledge (https://stirdf.jglobal.jst.go.jp/ :closed in 2018).

Data detail open_in_full
Links to Other DBs (based on PubChem) NBDC Nikkaji RDF 10.18908/lsdba.nbdc01530-02-007.V011

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).

The data was created from the mapping data between Nikkaji substances, and PubChem substances, and compounds which were acquired using UniChem FTP service (https://pubchem.ncbi.nlm.nih.gov/upload/).

Data detail open_in_full
Links to Other DBs (based on UniChem) NBDC Nikkaji RDF 10.18908/lsdba.nbdc01530-02-006.V011

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.

The data was created from the mapping data between Nikkaji substances, and chemical substances in other databases which were acquired using UniChem FTP service (ftp://ftp.ebi.ac.uk/pub/databases/chembl/UniChem/). The mapping data between Nikkaji and KNApSAcK substances was created using the InChIKey provided by KNApSAcK (http://kanaya.naist.jp/KNApSAcK/).

Data detail open_in_full
MOL/SDF NBDC Nikkaji RDF 10.18908/lsdba.nbdc01530-02-009.V011

This RDF data contains the URL-encoded content of MOL/SDF files of chemical substances registered in Nikkaji  by using CHEMINF, SIO and other ontologies. We recommend using this RDF together with the Core RDF.

MOL/SDF informations were obtained from J-GLOBAL Chemical Substance Database. Only available for substances with 'Substance Type: Decided Structure'.

Data detail open_in_full
Molecular Formula and Molecular Weight NBDC Nikkaji RDF 10.18908/lsdba.nbdc01530-02-005.V011

This RDF data contains molecular formula and molecular weight of chemical substances registered in Nikkaji by using CHEMINF, SIO and other ontologies.

The data was converted from data of molecular formulas and molecular weights in Basic Information (http://dbarchive.biosciencedbc.jp/en/nikkaji/data-1.html).

Data detail open_in_full
Data name Database name DOI Description of data contents Data acquisition method Data analysis method Data detail