CHEESE-Search-API

The CHEESE Search API enables seamless integration of CHEESE's molecular search capabilities into your workflows. It allows for rapid, ligand-based similarity searches across extensive molecular databases, supporting various similarity metrics such as 2D fingerprints, 3D shape, and 3D electrostatic properties. Registered users can access the API by obtaining an API key from the CHEESE Search webpage. Detailed documentation and usage examples are available to assist in implementation.

Input ports

1. Type: Table
   Port 1
   Input table with a column 'search_input' that contains SMILES code of the query molecule.

Output ports

1. Type: Table
   Port 1
   Output table which contains the retrieved molecules and additional attributes.

External resources

• CHEESE Search API Documentation
• The CHEESE Search UI - public version
• Deep MedChem webpage
• CHEESE Search Tutorials