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

Files

file  ConnectivityDescriptors.h [code]
 Use MolDescriptors.h in client code.
 
file  Crippen.h [code]
 Use MolDescriptors.h in client code.
 
file  Lipinski.h [code]
 Contains Lipinski and Lipinski-like descriptors. Use MolDescriptors.h in client code.
 
file  MolDescriptors.h [code]
 
file  MolSurf.h [code]
 Use MolDescriptors.h in client code.
 
file  MQN.h [code]
 Use MolDescriptors.h in client code.