PubChem
by NCBI / NIH · free · Last verified 2026-03-17
PubChem is the world's largest open chemical database maintained by the NCBI, containing information on over 115 million compounds, 295 million substances, and 270 million bioactivity outcomes from more than 1.2 million assays. It provides standardized molecular structures, properties, and biological activity data freely accessible via REST API and bulk download, making it the canonical resource for cheminformatics and drug discovery research.
https://pubchem.ncbi.nlm.nih.gov ↗B+
B+—Good
Adoption: A+Quality: A+Freshness: A+Citations: A+Engagement: F
Specifications
- License
- Public Domain
- Pricing
- free
- Capabilities
- molecular-structure-search, bioactivity-lookup, cheminformatics
- Integrations
- rdkit, chembl
- Use Cases
- drug-discovery, molecular-ml-training, chemical-property-prediction
- API Available
- Yes
- Tags
- chemistry, molecules, bioassay, drug-discovery, cheminformatics
- Added
- 2026-03-17
- Completeness
- 100%
Index Score
79.6Adoption
92
Quality
95
Freshness
90
Citations
95
Engagement
0
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