RXN for Chemistry Python Wrapper¶

Contents:

• Introduction
  • What is RXN for Chemistry?
  • Tools Available in RXN for Chemistry
  • Additional Resources
  • RXN for Chemistry API and Python Wrapper
    • API access
    • Python Wrapper
    • Instantiating the Python wrapper
    • Jupyter Notebook of Code Examples
  • Projects in RXN for Chemistry
    • What is a Project?
    • Special note for on-premise installations (uncommon)
    • Create a new project
    • Choose an existing project
• Tools available via Python API Wrapper
  • Predict Retrosynthesis
    • Predict possible retrosynthetic routes given target molecule
  • Predict Product
    • Predict the product of a chemical reaction given the starting materials
  • Predict Reagents
    • Predict reagents needed to convert given starting material to given product
  • Plan a Synthesis
    • Plan a synthesis starting from a target molecule, a retrosynthetic route, or an experimental procedure in text format
  • Atom Mapping
    • Map atoms from starting materials to product
  • Text to Procedure
    • Translate your reaction procedures from text to exact steps to follow
  • Reaction Digitization
    • Convert images of reaction schemes to machine-readable format