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PubChem Compound Intelligence

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Search PubChem for chemical compound data — structures, properties, synonyms, biological activity. Chemistry research, pharma, toxicology.

Pricing

Pay per usage

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Chris Wakefield

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16 days ago

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PubChem Compound Scraper | Chemical Data API through CLI

The Apify CLI is the official tool that allows you to use PubChem Compound Intelligence locally, providing convenience functions and automatic retries on errors.

Install Apify CLI

Using installation script (macOS/Linux):

$curl -fsSL https://apify.com/install-cli.sh | bash

Using installation script (Windows):

$irm https://apify.com/install-cli.ps1 | iex

Using Homebrew:

$brew install apify-cli

Using npm:

$npm install -g apify-cli

Other API clients include:

PubChem Compound Intelligence API in Python

PubChem Compound Intelligence API in JavaScript

PubChem Compound Intelligence OpenAPI definition

PubChem Compound Intelligence API

PubChem Chemical Compound Scraper

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Search and extract chemical compound data from PubChem. Get molecular structures, properties, safety info, and bioactivity. No API key needed.

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PubChem Compound Scraper - Chemical & Drug Data API

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Scrape NIH PubChem chemical compound data by name, formula, SMILES, or CID. Get molecular weight, IUPAC, InChI, SMILES, XLogP, synonyms, and drug data for pharma, toxicology, and R&D workflows.

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PubChem Compound Lookup — Chemistry API for Pharma R&D

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Look up chemical compounds in PubChem by name. Returns CID, molecular formula, weight, SMILES, InChI, IUPAC name, physicochemical properties, description and synonyms.

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PubChem Scraper — Chemical Compound Data

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Look up chemical compounds from PubChem by name or CID — formula, weight, SMILES, InChI, IUPAC name, logP, TPSA & synonyms. Free keyless API. For chem, pharma & research.

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PubChem Compound Properties

scrupulous_waterbird_m4w/pubchem-compounds

Look up PubChem compounds by name or CID and return normalized identifiers, molecular formula, weight, SMILES, InChI, synonyms, and PubChem URLs via the public PUG REST API.

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PubChem Chemical Compound Scraper

crawlerbros/pubchem-chemical-compound-scraper

Search PubChem - the world's largest free chemistry database with 100M+ compounds. Search by name, get by CID, or fetch synonyms. Returns molecular formula, weight, SMILES, InChI, logP, H-bond counts, and more. No API key required.

Crawler Bros

PubChem Compound Scraper

crawlerbros/pubchem-scraper

Scrape PubChem - the world's largest free chemistry database with 100M+ compounds. Search by name, CID, SMILES, or full-text. Returns molecular formula, weight, SMILES, InChI, logP, H-bond counts, synonyms, and more.

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PubChem Compound Scraper

parseforge/pubchem-compound-scraper

Look up chemical compounds on PubChem by CID, name, SMILES, or InChIKey. Returns a flat row of molecular properties including formula, weight, SMILES, InChI, IUPAC name, XLogP, and TPSA.

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PubChem Compounds Scraper

automation-lab/pubchem-compound-batch-lookup

Resolve PubChem compounds in batches by CID, name, SMILES, InChI, or formula. Export normalized identity, structures, molecular properties, bounded synonyms, input resolution, and official source provenance.