Statements (51)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
Database Category
|
| gptkbp:access |
Proprietary
Subscription-based Open access |
| gptkbp:contains |
Chemical structures
Chemical properties Toxicological data Biological activity data Literature references Spectral data |
| gptkbp:example |
gptkb:PDB
gptkb:ChEMBL gptkb:PubChem gptkb:Reaxys gptkb:CAS_Registry gptkb:ChemSpider gptkb:DrugBank gptkb:BindingDB gptkb:KEGG HMDB ZINC database |
| gptkbp:format |
gptkb:SDF
gptkb:InChI SMILES MOL file |
| https://www.w3.org/2000/01/rdf-schema#label |
Chemical Databases
|
| gptkbp:maintainedBy |
Government agencies
Academic institutions Commercial organizations |
| gptkbp:originatedIn |
20th century
|
| gptkbp:relatedTo |
gptkb:pharmacy
gptkb:Bioinformatics gptkb:Toxicology Computational chemistry Analytical chemistry Cheminformatics Medicinal chemistry |
| gptkbp:supports |
Data visualization
Similarity search Data export Structure search Property prediction Substructure search |
| gptkbp:usedBy |
Chemists
Biochemists Pharmaceutical researchers |
| gptkbp:usedFor |
Chemical informatics
Retrieving chemical data Storing chemical information |
| gptkbp:bfsParent |
gptkb:Ion_Entity
|
| gptkbp:bfsLayer |
7
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