is a Data Source.
PubChem is an open chemistry database that collects information on chemical structures, identifiers, chemical and physical properties, biological activities, patents, health, safety, toxicity data, and other information.
chemistry and biochemistry, health
infores:pubchem
Unknown
| ID | Name | URL | Category | Format | Description |
|---|---|---|---|---|---|
| pubchem.compounds.asn | PubChem Compounds ASN | ASN | Product | xml | Compound structures, properties, and ... |
| pubchem.compounds.sdf | PubChem Compounds SDF | SDF | Product | sdf | Compound structures, properties, and ... |
| pubchem.substances.asn | PubChem Substances ASN | ASN | Product | xml | PubChem substance information in ASN.... |
| pubchem.substances.sdf | PubChem Substances SDF | SDF | Product | sdf | PubChem substance information in SDF ... |
| pubchem.bioassay.asn | PubChem BioAssay ASN | ASN | Product | xml | PubChem BioAssay data in ASN.1 format |
| pubchem.bioassay.xml | PubChem BioAssay XML | XML | Product | xml | PubChem BioAssay data in XML format |
| pubchem.pug.rest | PubChem PUG REST API | pug-rest | ProgrammingInterface | ❔ | The PubChem Power User Gateway (PUG) ... |
| ID | Name | URL | Category | Format | Relation | Description |
|---|---|---|---|---|---|---|
| biomarkerkg.nodes.compound | BKG Compound Nodes | Compound.nodes.zip (871 B) | GraphProduct | csv | had primary source | Nodes from PubChem Database |
| alzkb.browser | AlzKB Graph Database Browser | login | GraphicalInterface | http | had primary source | A browser interface for a knowledge g... |
| alzkb.data | AlzKB Data Release (Version 2.0.0) | v2.0.0 | GraphProduct | ❔ | had primary source | Memgraph data release for AlzKB. |
| pharmkg.graph | PharmKG graph | 4077338 | GraphProduct | ❔ | had primary source | Cleaned benchmark graph (PharmKG-8k) ... |
| microbiomekg.api | MicrobiomeKG Plover API | mbkp | ProgrammingInterface | http | had primary source | TRAPI web API for querying MicrobiomeKG |
| icees-kg.graph | KGX distribution of the ICEES Exposures KP | 1.5.0 | GraphProduct | kgx-jsonl | had primary source | KGX distribution of the ICEES Exposur... |
| icees-kg.trapi | ICEES KG TRAPI API | icees-kg-trapi | ProgrammingInterface | http | had primary source | Translator Reasoner API (TRAPI) endpo... |
| icees-kg.metadata | ICEES KG Metadata | metadata-metadata-get-icees-kg | Product | json | had primary source | Meta knowledge graph and metadata des... |
| forum.graph.dump ⚠ | FORUM Knowledge Graph Dump | share.tar.gz | GraphProduct | ❔ | had primary source | Downloadable knowledge graph dump in ... |
| unibiomap.links | UniBioMap Graph Links | unibiomap.links.csv (1.3 GB) | GraphProduct | csv | had primary source | Core UniBioMap graph edges file. |
| unibiomap.auxs | UniBioMap Graph Auxiliaries | unibiomap.auxs.tsv (563.9 MB) | GraphProduct | tsv | had primary source | Auxiliary UniBioMap graph annotations... |
| unibiomap.pred | UniBioMap Predicted Graph | unibiomap.pred.csv (2.3 GB) | GraphProduct | csv | had primary source | Predicted UniBioMap graph edges with ... |
| unibiomap.pred.full | UniBioMap Predicted Graph (Full) | unibiomap.pred.full.csv (5.9 GB) | GraphProduct | csv | had primary source | Full unfiltered UniBioMap predicted g... |
PubChem is a database of chemical molecules and their activities against biological assays maintained by the National Center for Biotechnology Information (NCBI), a component of the National Library of Medicine, which is part of the United States National Institutes of Health (NIH).
The system contains three primary databases:
PubChem data is available through a web interface, programmatically via the PUG REST API, and as bulk downloads via FTP. The system supports structure searches, chemical property information, biological activities, safety and toxicity information, patents, literature citations, and links to related resources.
All PubChem data is in the public domain and can be freely downloaded and used for both commercial and non-commercial purposes.
Created: May 04, 2025 | Last modified: February 20, 2026