Welcome to SynEPD’s documentation!

SynEPD (Synthetic Electron Pushing Database) is an advanced framework and database for analyzing organic reaction mechanisms, identifying reaction centers, mapping atom numbers, and matching subgraph isomorphism for elementary reactions.

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Features:

• Reaction center detection: Auto-detect reaction centers and draw canonical 2D/3D representations.

• Atom mapping validation: Ensure complete hydrogen balance and correct atom mapping.

• Web UI & Knowledge Graph: Browse reaction hierarchies and inspect chemical properties interactively.

Documentation & API:

• Querying Guide
  • Connecting to the Database
  • Querying Reactions
  • Querying Molecules
  • Querying Taxonomy
  • Querying EPD (Electron Push Diagrams)
  • Closing the Connection
• API
  • synepd package
• Changelog
  • 0.1.0 - 2026-07-07

Indices and tables

• Index

• Module Index

• Search Page