PubChem Chemical Compound Scraper

Search and extract chemical compound data from PubChem. Get molecular structures, properties, safety info, and bioactivity.

Features

• Extract data from https://pubchem.ncbi.nlm.nih.gov/rest/pug
• Multiple scraping modes: search, property
• Automatic rate limiting (5 req/sec)
• Proxy support via Apify Proxy

Input Configuration

Modes

1. search: /compound/name/{query}/JSON
2. property: /compound/name/{query}/property/MolecularFormula,MolecularWeight,IUPACName,XLogP,ExactMass,TPSA,Complexity,HBondDonorCount,HBondAcceptorCount/JSON

Example Input

{
  "mode": "property",
  "query": "example search",
  "maxResults": 10
}

Output

The actor stores results in the Apify dataset. Each item contains:

• id
• atoms
• bonds
• coords
• charge
• props

Usage Example

const input = {
  "mode": "property",
  "query": "example search",
  "maxResults": 10
};

const run = await ApifyClient.actor('pubchem-scraper').call(input);
const { items } = await ApifyClient.dataset(run.defaultDatasetId).listItems();

console.log(items);

Limits

• Maximum results per run: 100
• Rate limiting: 5 req/sec

Support

For issues or questions, contact the developer or open an issue on GitHub.

License

Apache-2.0