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
4.1.1. Extended Connectivity Fingerprints (ECFPs)
4.1.2. FAME Atom Environment Fingerprints
5. 3D Structure and Conformer Generation
6. Force Field Calculations
CDPL API Documentation
Release Notes
Acknowledgements
Bibliography
Index
CDPKit
CDPL Python Cookbook
4.
Calculation of Molecule and Pharmacophore Descriptors
4.1.
Generation of Fingerprints
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4.1.
Generation of Fingerprints
4.1.1. Extended Connectivity Fingerprints (ECFPs)
4.1.2. FAME Atom Environment Fingerprints