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  • Introduction
  • Installation
  • Applications
  • CDPL Python Tutorial
  • CDPL Python Cookbook
    • 1. Basic Processing of Molecules and Reactions
    • 2. Pharmacophore Generation and Processing
    • 3. Calculation of Molecule, Atom and Bond Properties
    • 4. Calculation of Molecule and Pharmacophore Descriptors
      • 4.1. Fingerprints
        • 4.1.1. Extended Connectivity Fingerprint (ECFP)
        • 4.1.2. PubChem Fingerprint
        • 4.1.3. MDL MACCS Key
        • 4.1.4. Bond-Path Fingerprint
        • 4.1.5. 2D and 3D Pharmacophore Fingerprints
      • 4.2. Miscellaneous Descriptors
    • 5. 3D Structure and Conformer Generation
    • 6. Force Field Calculations
    • 7. Molecular Shape Analysis and Alignment
    • 8. Visualization
  • CDPL API Documentation
  • Release Notes
  • Acknowledgements
  • Bibliography
  • Index
CDPKit
  • CDPL Python Cookbook
  • 4. Calculation of Molecule and Pharmacophore Descriptors
  • 4.1. Fingerprints
  • View page source

4.1. Fingerprints

  • 4.1.1. Extended Connectivity Fingerprint (ECFP)
  • 4.1.2. PubChem Fingerprint
  • 4.1.3. MDL MACCS Key
  • 4.1.4. Bond-Path Fingerprint
  • 4.1.5. 2D and 3D Pharmacophore Fingerprints
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