Sigma-Aldrich Chemical Structure Search API

The Sigma-Aldrich Chemical Structure Search API enables substructure, exact structure, and similarity searches against the Sigma-Aldrich chemical catalog using SMILES, InChI, or molecular formula notation. Supports configuring similarity thresholds and returning ranked results for drug discovery, materials research, and synthetic chemistry workflows.

API entry from apis.yml

apis.yml Raw ↑
aid: sigma-aldrich:sigma-aldrich-structure-search-api
name: Sigma-Aldrich Chemical Structure Search API
tags:
- Chemistry
- Cheminformatics
- Structure Search
- SMILES
humanURL: https://www.sigmaaldrich.com/US/en/support/contact-us
properties:
- url: https://www.sigmaaldrich.com/US/en/support/contact-us
  type: Documentation
description: The Sigma-Aldrich Chemical Structure Search API enables substructure, exact structure, and
  similarity searches against the Sigma-Aldrich chemical catalog using SMILES, InChI, or molecular formula
  notation. Supports configuring similarity thresholds and returning ranked results for drug discovery,
  materials research, and synthetic chemistry workflows.