MolHash

Contents

• Introduction
  • Anonymous Graph
  • Arthor Substructure Order
  • Canonical SMILES
  • Element Graph
  • Heteroatom Protomer/Tautomer
  • Mesomer/Redox Pair
  • Molecular Formula
  • Murcko Scaffold and Extended Murcko
  • Regioisomer
• Installation
  • Compile the executable
• molhash application
  • Usage
  • Options