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pubchem-api-guide

Search PubChem for chemical compounds, structures, and bioassay data

skills/domains/chemistry/pubchem-api-guide/SKILL.md

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# PubChem PUG REST API Guide

## Overview

PubChem is the world's largest free chemistry database, maintained by the National Center for Biotechnology Information (NCBI) at the U.S. National Library of Medicine. It contains information on over 115 million chemical compounds, 300 million substances from hundreds of data sources, and over 1.5 million bioassay experiments. PubChem is a critical resource for researchers in chemistry, pharmacology, drug discovery, toxicology, and related life sciences.

The PUG REST (Power User Gateway RESTful) API provides programmatic access to PubChem's three primary databases: Compound (standardized chemical structures), Substance (depositor-provided records), and BioAssay (biological screening results). The API supports searches by name, molecular formula, structure similarity, substructure, and various identifiers including CID, SID, InChI, and SMILES.

PUG REST is entirely free, requires no authentication, and returns data in JSON, XML, CSV, SDF, and other formats. It is designed for both simple lookups and complex cheminformatics workflows.

## Authentication

No authentication is required. PubChem PUG REST is a free public service.
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