Small Molecule Databases
Many public databases are available with information on proteins, small molecules, RNA, cells, and more. Many datasets are aggregates of other datasets and therefore overlap between databases can be high. While some datasets are extensively curated by hand, most are automated and therefore redundancy within a dataset can also be high.
PubChem
Find the caffeine molecule
PubChem is a small molecule database with chemical properties, biological activities, and other functional data. Information is automatically curated.
- Num Compounds: 118 M
- Substances: 319 M
- Bioactivities: 295 M
Find Diclofenac molecule
Load molecule rapamycin
Import CC(=O)OC1=CC=CC=C1C(=O)O
