RDKit
Open-source cheminformatics and machine learning.
Descriptors Directory Reference

Files

file  AUTOCORR2D.h [code]
 
file  AUTOCORR3D.h [code]
 
file  ConnectivityDescriptors.h [code]
 Use MolDescriptors.h in client code.
 
file  Crippen.h [code]
 Use MolDescriptors.h in client code.
 
file  Data3Ddescriptors.h [code]
 
file  EEM.h [code]
 
file  GETAWAY.h [code]
 
file  Lipinski.h [code]
 Contains Lipinski and Lipinski-like descriptors. Use MolDescriptors.h in client code.
 
file  MolData3Ddescriptors.h [code]
 
file  MolDescriptors.h [code]
 
file  MolDescriptors3D.h [code]
 
file  MolSurf.h [code]
 Use MolDescriptors.h in client code.
 
file  MORSE.h [code]
 
file  MQN.h [code]
 Use MolDescriptors.h in client code.
 
file  PBF.h [code]
 
file  PMI.h [code]
 
file  Property.h [code]
 
file  RDF.h [code]
 
file  RegisterDescriptor.h [code]
 
file  USRDescriptor.h [code]
 Contains the USR descriptor. Use MolDescriptors.h in client code.
 
file  WHIM.h [code]