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  • Introduction
  • Installation
  • Applications
  • CDPL Python Tutorial
  • CDPL Python Cookbook
    • 1. Processing of Chemical Data
    • 2. Pharmacophore Generation and Processing
    • 3. Calculation of Molecule, Atom and Bond Properties
    • 4. Calculation of Molecule and Pharmacophore Descriptors
      • 4.1. Generation of Fingerprints
    • 5. 3D Structure and Conformer Generation
    • 6. Force Field Calculations
  • CDPL API Documentation
  • Release Notes
  • Acknowledgements
  • Bibliography
  • Index
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  • 4. Calculation of Molecule and Pharmacophore Descriptors
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4. Calculation of Molecule and Pharmacophore Descriptors

  • 4.1. Generation of Fingerprints
    • 4.1.1. Extended Connectivity Fingerprints (ECFPs)
    • 4.1.2. FAME Atom Environment Fingerprints
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