ChEMBL Downloader 0.5.2 Documentation

Getting Started

• Installation
  • Installing from git
  • Installing for development
• SQL Usage
  • Automatic Connection
  • Run a Query and Get a Pandas DataFrame
  • Querying for a Scalar
• SDF Usage
  • Iterate over SMILES
  • Get an RDKit substructure library
• Fingerprints
  • Load fingerprints with chemfp
• Reference
  • Functions
  • Classes
  • Class Inheritance Diagram
• SQL Queries
  • Functions
  • Variables
• Extras
  • Functions
• Configuration
• Command Line Interface
  • chembl_downloader

Indices and Tables

• Index

• Module Index

• Search Page