The RDKit Documentation

• Getting Started with the RDKit in Python
  • What is this?
  • Reading and Writing Molecules
  • Working with Molecules
  • Substructure Searching
  • Fingerprinting and Molecular Similarity
  • Descriptor Calculation
  • Chemical Reactions
  • Chemical Features and Pharmacophores
  • Molecular Fragments
  • Non-Chemical Functionality
  • Getting Help
  • Advanced Topics/Warnings
  • Miscellaneous Tips and Hints
  • List of Available Descriptors
  • List of Available Fingerprints
  • Feature Definitions Used in the Morgan Fingerprints
  • License
• The RDKit Book
  • Misc Cheminformatics Topics
  • Chemical Reaction Handling
  • The Feature Definition File Format
  • Representation of Pharmacophore Fingerprints
  • License

Additional Information

• Python API Documentation
• C++ API Documentation